============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. PHE 5 1.000 34.642 4.782 2.999 -99.200 -91.000 HIS 15 0.900 27.872 15.774 13.956 -99.200 -91.000 HIS 61 0.900 23.694 -5.705 22.389 -99.200 -91.000 PHE 68 1.000 28.238 0.461 32.276 -99.200 -91.000 HIS 83 0.900 44.603 -0.355 19.512 -99.200 -91.000 PHE 85 1.000 38.165 1.126 18.908 -99.200 -91.000 PHE 88 1.000 26.023 2.147 16.211 -99.200 -91.000 PHE 93 1.000 19.025 5.521 23.102 -99.200 -91.000 TYR 104 0.840 22.453 10.192 23.732 -99.200 -91.000 PHE 109 1.000 23.641 0.109 31.169 -99.200 -91.000 TRP 114 1.040 29.493 5.155 28.022 -99.200 -91.000 TRP6 114 1.020 28.814 3.597 26.381 -99.200 -91.000 HIS 121 0.900 14.203 0.502 16.083 -99.200 -91.000 HIS 140 0.900 31.472 19.171 18.631 -99.200 -91.000 TYR 160 0.840 9.730 2.322 9.925 -99.200 -91.000 HIS 171 0.900 14.970 16.342 12.966 -99.200 -91.000 PHE 174 1.000 22.008 13.713 17.985 -99.200 -91.000 PHE 178 1.000 19.750 7.588 6.476 -99.200 -91.000 PHE 190 1.000 22.068 12.357 5.757 -99.200 -91.000 HIS 192 0.900 23.650 5.273 2.978 -99.200 -91.000 TYR 210 0.840 24.176 -13.444 9.688 -99.200 -91.000 TYR 244 0.840 33.268 -11.171 8.318 -99.200 -91.000 TRP 249 1.040 40.270 -0.450 1.817 -99.200 -91.000 TRP6 249 1.020 39.423 1.538 2.783 -99.200 -91.000 TYR 252 0.840 36.081 3.055 -0.168 -99.200 -91.000