============================================================================= 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. HIS 21 0.900 9.629 9.260 40.732 -99.200 -91.000 TRP 23 1.040 8.824 10.467 31.324 -99.200 -91.000 TRP6 23 1.020 11.156 10.135 31.192 -99.200 -91.000 PHE 27 1.000 6.357 -5.019 35.106 -99.200 -91.000 TRP 40 1.040 24.172 -1.352 37.165 -99.200 -91.000 TRP6 40 1.020 22.217 -0.657 36.032 -99.200 -91.000 PHE 41 1.000 27.145 -9.465 38.758 -99.200 -91.000 TYR 42 0.840 21.370 -8.498 29.498 -99.200 -91.000 PHE 55 1.000 20.878 0.023 30.144 -99.200 -91.000 PHE 66 1.000 15.450 0.178 44.065 -99.200 -91.000 TYR 67 0.840 9.330 -1.053 38.752 -99.200 -91.000 PHE 84 1.000 22.453 5.506 41.938 -99.200 -91.000 PHE 102 1.000 28.328 10.965 51.820 -99.200 -91.000 HIS 105 0.900 28.049 2.533 41.267 -99.200 -91.000 TYR 131 0.840 21.936 1.382 52.985 -99.200 -91.000 HIS 133 0.900 17.105 11.068 48.671 -99.200 -91.000 PHE 147 1.000 31.362 3.199 58.764 -99.200 -91.000 TYR 148 0.840 36.526 1.507 58.743 -99.200 -91.000 TRP 159 1.040 21.000 8.082 69.488 -99.200 -91.000 TRP6 159 1.020 20.710 5.905 68.592 -99.200 -91.000 PHE 160 1.000 30.651 8.285 65.707 -99.200 -91.000 TRP 163 1.040 26.508 17.780 64.360 -99.200 -91.000 TRP6 163 1.020 24.480 18.967 64.598 -99.200 -91.000 PHE 168 1.000 24.133 13.811 65.521 -99.200 -91.000 PHE 169 1.000 21.473 13.776 58.466 -99.200 -91.000