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. Author manuscript; available in PMC: 2019 Mar 19.
Published in final edited form as: Anal Lett. 2017 Sep 12;50(15):2412–2425. doi: 10.1080/00032719.2017.1287713

Table 1.

Consensus wavenumbers having VIP scores > 0 from analysis of M. pneumoniae strains. High, > 5; Low, 2– 5; colors correspond to the highlighted peaks in figures 2 (yellow) and 5 (orange and green).

Wavenumber VIP scores: clinical strains vs type 1 reference M129 VIP scores: clinical strains vs type 2 reference FH VIP scores: M129 vs
III-4
VIP scores: M129 vs IV-22 VIP scores:
III-4 vs IV-22
Tentative bond vibrational mode assignments
1659–1675 High High --- --- --- 1675: Amide I a,b
1663, 1670, 1672: Amide I c
1631–1647 Low Low --- --- --- 1646: Amide I a
1637: Amide I b, d
1474–1485 --- --- Low Low Low ---
1457–1467 --- --- Low Low Low 1440–1460: C-H2 def b, c
1438–1451 --- --- Low High Low 1442–1443: CH2 scissoring a; 1440–1460: C-H2 def b, c ; 1347, 1350: CH2 bend (protein, lipid) d
1395–1400 High High --- --- --- 1400: COO- symmetric stretching b
1388–1394 High High --- --- --- 1392: COO- symmetric stretchinga
1375–1381 High High --- --- --- C-H bend (protein) d
1347–1352 --- --- Low --- Low 1350: Amide IIIb, Trpc
1334–1341 --- --- Low --- Low 1335, 1338, 1339: Trp c
1337, 1341: C-H bend (protein) d
1324–1330 --- --- Low --- --- 1330: Trpa; 1329: C-H bend (protein) d
1262–1266 Low Low --- --- --- 1230–1295: Amide III b, c
1051–1061 --- --- High High High 1061: Gln, C-N stretch b
1056: C-C stretch d
1039–1050 --- --- High High High 1040: Phe c; 1043, C-C stretch d
1006–1020 Low High High High High 1013,1019: Phea; 1009: Trpc
997–1005 Low Low High High High 997: Phea;; 1004: Pheb; 1001–1003: Phe c
960–971 High High High High Low 971: C-C stretch a ; 960: C-C stretch c; 961, 963, 966, 967: C-N stretch d
947–957 High High High High Low ---
933–943 --- --- High High Low 934: C-C stretch c, d
923–931 Low Low --- High Low 924, 925, 931: C-COO- stretch d
810–811 --- --- --- Low Low ---
797–804 --- --- High High --- 801: -O-P-O d
778–786 --- --- Low --- Low 785: Cytosine/Uracil stretchb
766–770 Low Low --- --- --- ---
738–744 --- --- Low Low Low 746: Trpa
716–728 Low Low High High Low 720: C-H rocking; Adeb; 720–721: Trp c
702–714 Low High High High Low ---
581–583 --- Low
574–578 --- --- Low --- Low 575–577, 582:carbohydrated
565–569 --- --- Low --- --- 568: Trp c
505–513 Low Low --- --- --- 507–509, 513: S-S c
498–500 --- --- Low --- Low
472–480 Low Low --- --- --- ---