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. Author manuscript; available in PMC: 2009 Dec 3.
Published in final edited form as: Biochemistry. 2008 Dec 2;47(48):12869–12877. doi: 10.1021/bi801779d

Table 1.

Summary of observed RR frequencies [cm-1 ] for native and reversed metMb, deoxyMb, MbCO and metMb-CN together with their isotopic shifts [Δd1,3-d6/Δd12/Δd4].

mode metMba deoxyMb MbCO metMb-CN
nativea reverseda native reversed native reversed native reversed
ν(Fe-His) 220 [0/0/0] 220 [0/0/0]
ν9 240 [2/7/3] 254 [2/7/3] 252 [4/13/6] 252 246
? 251 [11/14/1] 267 [8/13/4] 265
ν52 272 [0/1] 272 [0/1] 285 [3/4/1] 272 [0/2/3] 267
γ7 305 [4/5] 307 [1/4] 304 [3/5/6] 298 [2/4/1] 302 [2/3/5] 299
γ16 319 [2/5/2] 315 [2/8/4] 308 308
γ6 336 [1/4] 336 [1/4] 335 [1/1/20] 335 [1/1/20] 354 [0/0/19] 366 [0/0/19]
ν8 344 [2/3] 343 [2/5/6] 335 [1/9/2] 347 [2/9/0] 339 [1/7/5] 343 343
ν50 356 [6/6/0]
III,IV 375 [2/9] 366 [2/8] 370 [4/14/2] 360 [2/12/2] 379 [4/15/0] 375 [5/14/0] 375 370
I or II 388 [13/16/4] 392 [9/11/5]
II 408 [11/12] 405 [14/14/1] 412 [9/11/0] 410
I or II 422 [9/10] 420 [10/13/3] 427 [10/13/2] 425
I 439 [4/6] 436 [6/8/4] 438 [7/8/3] 440
I or II 439 [11/11] 436 [?/?/3]
ν(Fe-CN) 453
ν33 473 [13/16] 487 [7/11/0] 477 [15/19/2]
γ22 501 [16/18] 482 [10/16] 499 [9/19/8] 480 [18/21/4] 485 [17/20/4]
ν(Fe-CO) 509 [0/0/0] 511 [0/0/0]
γ21 548 [2/9] 548 [2/9] 545 [5/17/10] 545 [?/?/?] 555 [6/18/11] 546 [?/?/?]
δ(FeCO) 575 [0/0/0] 577 [0/0/0]
ν48 585 [0/0/0] 585 [0/0/0]
ν4 1371 [0/0] 1371 [0/0] 1356 [0/0/1] 1356 [0/0/1] 1373 [0/0/0] 1373 [0/0/0]
ν12 1387 [0/0] 1387 [0/0] 1390 [0/0/?] 1390 [0/0/?]
ν29 1401 [0/0] 1401 [0/0] 1401 [0/0/?] 1401 [0/0/?]
ν28 1426 [0/0] 1426 [0/0] 1426 [0/0/0] 1426 [0/0/0] 1432 [0/0/0] 1432 [0/0/0]
δ(=CbH2) 1451 [0/0] 1451 [0/0] 1448 [0/0/6] 1448 [0/0/6] 1470 [6/7/7] 1470 [4/5/4]
ν3 1482 [0/0] 1482 [0/0] 1473 [2/2/8] 1473 [2/2/8] 1501 [1/3/10] 1501 [1/3/10]
ν38 1512 [0/0] 1512 [0/0] 1526 [0/0/16] 1526 [0/0/16] 1546 [1/3/10] 1546 [1/3/10]
ν38 1521 [0/0] 1521 [0/0]
ν11 1544 [2/4] 1544 [2/4] 1545 [1/3/16] 1545 [2/3/16] 1563 [4/5/8] 1563 [4/5/8]
ν2 1563 [2/4] 1563 [2/4] 1564 [3/4/4] 1564 [3/4/4] 1585 [1/2/5] 1585 [1/2/4]
ν37 1583 [0/0] 1583 [0/0] 1590 [0/4/4] 1590 [0/3/3] 1607 [0/2/4] 1607 [0/2/4]
ν10 1607 [0/0/10] 1607 [0/0/10] 1636 [0/0/10] 1636 [0/0/10]
νCa=Cb 1620 [0/0] 1620 [0/0] 1618 [0/0/0] 1618 [0/0/0] 1619 [0/0/0] 1619 [0/0/0]
νCa=Cb 1630 [0/0] 1632 [0/0/0] 1629 [0/0/0]
a

From ref. 25.