============================================================================= 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. TYR 32 0.840 1.920 -0.611 59.511 -99.200 -91.000 TYR 34 0.840 4.500 -4.637 53.034 -99.200 -91.000 TRP 35 1.040 12.919 -2.742 51.136 -99.200 -91.000 TRP6 35 1.020 14.421 -1.317 49.998 -99.200 -91.000 TYR 36 0.840 5.935 -3.337 46.755 -99.200 -91.000 TRP 47 1.040 13.056 -9.459 46.140 -99.200 -91.000 TRP6 47 1.020 12.144 -11.001 44.607 -99.200 -91.000 TYR 49 0.840 6.110 -10.218 54.811 -99.200 -91.000 PHE 62 1.000 17.216 -10.581 46.693 -99.200 -91.000 TYR 71 0.840 12.657 1.425 57.730 -99.200 -91.000 TYR 86 0.840 15.922 -5.312 43.721 -99.200 -91.000 PHE 87 1.000 10.492 0.794 41.520 -99.200 -91.000 TRP 91 1.040 1.794 -0.785 54.116 -99.200 -91.000 TRP6 91 1.020 -0.061 -1.849 55.109 -99.200 -91.000 PHE 94 1.000 -4.251 7.746 52.972 -99.200 -91.000 TYR 96 0.840 -1.556 3.649 52.329 -99.200 -91.000 PHE 98 1.000 4.927 2.267 45.531 -99.200 -91.000 PHE 118 1.000 20.960 -2.705 8.547 -99.200 -91.000 PHE 135 1.000 19.284 -1.945 13.828 -99.200 -91.000 PHE 139 1.000 26.526 -1.332 23.226 -99.200 -91.000 TYR 140 0.840 28.931 -4.289 31.022 -99.200 -91.000 TRP 148 1.040 24.612 8.571 12.877 -99.200 -91.000 TRP6 148 1.020 24.309 7.100 11.060 -99.200 -91.000 TRP 163 1.040 22.257 2.809 24.724 -99.200 -91.000 TRP6 163 1.020 22.002 5.091 24.163 -99.200 -91.000 TYR 173 0.840 23.508 -2.399 28.883 -99.200 -91.000 TYR 186 0.840 20.555 8.803 0.921 -99.200 -91.000 HIS 189 0.900 26.187 16.143 1.700 -99.200 -91.000 TYR 192 0.840 24.857 9.536 3.392 -99.200 -91.000 HIS 198 0.900 32.059 -0.433 24.216 -99.200 -91.000 PHE 209 1.000 24.844 4.025 3.209 -99.200 -91.000