============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. PHE 27 1.000 8.573 -9.596 -5.992 -99.200 -91.000 PHE 29 1.000 11.203 -15.368 -3.982 -99.200 -91.000 TYR 32 0.840 13.464 -7.978 -9.033 -99.200 -91.000 TRP 33 1.040 20.751 -10.885 -6.231 -99.200 -91.000 TRP6 33 1.020 22.804 -10.034 -5.430 -99.200 -91.000 TRP 36 1.040 15.345 -14.254 5.632 -99.200 -91.000 TRP6 36 1.020 13.164 -14.192 6.609 -99.200 -91.000 TRP 47 1.040 22.102 -8.220 4.737 -99.200 -91.000 TRP6 47 1.020 24.194 -9.360 4.657 -99.200 -91.000 TYR 58 0.840 18.399 -21.577 -6.406 -99.200 -91.000 HIS 61 0.900 27.740 -13.233 -0.790 -99.200 -91.000 TYR 62 0.840 24.489 -17.282 5.291 -99.200 -91.000 PHE 70 1.000 20.450 -16.805 12.569 -99.200 -91.000 TYR 82 0.840 11.265 -21.649 2.327 -99.200 -91.000 TYR 95 0.840 15.475 -12.733 13.043 -99.200 -91.000 TYR 96 0.840 11.044 -6.143 9.945 -99.200 -91.000 PHE 103 1.000 18.547 -3.828 1.954 -99.200 -91.000 TYR 105 0.840 8.984 -4.594 -4.014 -99.200 -91.000 TRP 106 1.040 12.129 -3.119 3.899 -99.200 -91.000 TRP6 106 1.020 13.680 -3.605 5.644 -99.200 -91.000 TYR 125 0.840 5.211 -4.778 43.537 -99.200 -91.000 TYR 142 0.840 5.005 -8.570 31.841 -99.200 -91.000 PHE 143 1.000 9.724 -14.976 28.916 -99.200 -91.000 TRP 151 1.040 -5.962 1.714 34.798 -99.200 -91.000 TRP6 151 1.020 -4.962 2.025 36.910 -99.200 -91.000 HIS 161 0.900 -1.411 8.587 28.535 -99.200 -91.000 PHE 163 1.000 3.078 5.495 30.111 -99.200 -91.000 TYR 172 0.840 9.575 -9.140 28.017 -99.200 -91.000 TRP 185 1.040 -7.611 7.263 44.619 -99.200 -91.000 TRP6 185 1.020 -5.608 8.281 45.442 -99.200 -91.000 HIS 196 0.900 2.080 -13.383 32.254 -99.200 -91.000