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276 5 Vibrational SiJectroscopy of Polypeptides<br />

Table 5-9. (contiriued)<br />

Observed" Calculated Potential energy distributionh<br />

Raman IR A El El<br />

-<br />

693M 691Wsh 11 700<br />

675<br />

662W 658s L 660<br />

637<br />

618s I 608<br />

589<br />

I537<br />

530VS<br />

375s<br />

328W<br />

310s<br />

294M<br />

260M<br />

209VW<br />

189M<br />

165M<br />

159s<br />

87W<br />

375s i 374<br />

-366Msh 367<br />

3248 I 326<br />

290M 11 307<br />

259Wsh 264<br />

240W 245<br />

223VW 230<br />

188M i 197<br />

l63M I 155<br />

120s 1 1 136<br />

113MshI 96<br />

84W 94<br />

40<br />

492<br />

366<br />

310<br />

244<br />

205<br />

151<br />

87<br />

49<br />

38<br />

"2°C d(36) C"CN d(16)<br />

CN t(32) CO ib( 18) C"C s( 14)<br />

CN t(37) NH ob(21) NC"C d(12)<br />

CN t(59) NH ob(43) NH...O ib(13)<br />

CN t(47) NH ob(23) CO ob( 15) CO ibi 12)<br />

CN t(68) NH ob(36) CO ob(26) NH.,.O ibill)<br />

CO ib(29) C"CN d(21) c"C s(17) CB b2(17)<br />

NH ob( 11)<br />

NC'C d(31) C'T s(14) CTN d(1l) CO ib(1l)<br />

NCT d(37) CO ib(17) (2°C s(16)<br />

CO ob(16) NH ob(16) Cp b2(15) C"CN d(15)<br />

CO ib( 15) CNC" d( 10)<br />

CO ob(21) Cp bl(17) NC"C d(14) NH ob(13)<br />

d b2(11)<br />

Cp b2(49) C"CN d(22) Cp bl(16)<br />

Cp b2(42) Cp bl(19) CO ib(16)<br />

CNC" d(30) CO ib(20) Cp bl(20) CO ob(17)<br />

Cp b2(34) CO ib(29) CNC" d(15)<br />

C"C0 t(35) Cfi b2(14)<br />

caCD t(91 j<br />

co t(95)<br />

C'CB t(63)<br />

CTN d(27) Cp b2(25) Cp bl(12) CO ob(l0)<br />

CaCN d( 15) Cp b2( 12) CO ob( 12)<br />

CNC"d(33)C'CNd(19) Cp b1(14)NHob(14)<br />

NC"C d( 12)<br />

NH ob(43) CNC" d(20) NC'C d( 11)<br />

CNC" d(34) CTN d(21) NC"C d(16) Co bl(12)<br />

NH ob(24) C'C t(20) NC" t(l8) CN t(18) H...O ~(10)<br />

CN t(27) NC" t(23) C"C t(22) H...O ~(15) NH ob(l0)<br />

NH ob(33) NH-.O ib(20j Cp bl(12) NCT d(10)<br />

CNC" d(l0)<br />

NH ob(38j NC" t(24) H-.O s(23) CN t(15) Cp bl(13)<br />

NH ob(58) Cp bl(20) H...O ~ (ll)<br />

(2°C t(53) H...O ~(18)<br />

a S: strong, M: medium, W: weak, V: very, sh: shoulder, 1): parallel dichroism, 1: perpendicular<br />

dichroism.<br />

s: stretch, as: antisyrnnietric stretch, ss: symmetric stretch, b: bend, ib: in-plane bend, r: rock,<br />

d: deformation, t: torsion. Constributions 2 10.

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