============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TRP 15 1.040 30.449 2.850 19.865 -99.200 -91.000 TRP6 15 1.020 29.227 4.485 18.687 -99.200 -91.000 TRP 19 1.040 25.640 6.870 24.966 -99.200 -91.000 TRP6 19 1.020 23.551 8.031 25.078 -99.200 -91.000 HIS 23 0.900 32.225 14.688 22.807 -99.200 -91.000 PHE 26 1.000 24.434 8.634 19.535 -99.200 -91.000 HIS 27 0.900 18.265 11.427 21.120 -99.200 -91.000 HIS 32 0.900 15.018 7.901 10.370 -99.200 -91.000 HIS 38 0.900 8.342 4.808 4.220 -99.200 -91.000 PHE 42 1.000 8.772 -1.886 10.548 -99.200 -91.000 PHE 52 1.000 17.556 -6.399 18.560 -99.200 -91.000 PHE 53 1.000 13.415 0.768 18.128 -99.200 -91.000 TRP 64 1.040 7.541 7.653 18.130 -99.200 -91.000 TRP6 64 1.020 8.536 8.042 16.010 -99.200 -91.000 PHE 65 1.000 8.136 0.411 16.172 -99.200 -91.000 HIS 70 0.900 2.793 -3.150 17.604 -99.200 -91.000 PHE 85 1.000 13.281 4.644 25.889 -99.200 -91.000 PHE 86 1.000 13.631 2.315 30.657 -99.200 -91.000 TYR 93 0.840 14.892 2.907 34.944 -99.200 -91.000 PHE 107 1.000 19.427 -0.723 33.558 -99.200 -91.000 TYR 117 0.840 17.583 -8.002 27.249 -99.200 -91.000 PHE 122 1.000 29.231 -7.506 17.440 -99.200 -91.000 PHE 132 1.000 13.200 -9.481 19.308 -99.200 -91.000 TRP 136 1.040 14.367 2.382 13.740 -99.200 -91.000 TRP6 136 1.020 14.105 3.230 11.526 -99.200 -91.000 HIS 149 0.900 29.595 -3.664 7.877 -99.200 -91.000 TYR 152 0.840 24.247 -5.265 13.156 -99.200 -91.000 PHE 164 1.000 12.657 -11.171 7.571 -99.200 -91.000 TYR 166 0.840 17.203 -5.644 9.152 -99.200 -91.000 TYR 173 0.840 30.135 8.810 4.933 -99.200 -91.000 HIS 178 0.900 32.938 10.914 9.319 -99.200 -91.000 PHE 183 1.000 32.649 2.721 11.197 -99.200 -91.000 TYR 184 0.840 29.798 4.213 1.066 -99.200 -91.000 PHE 194 1.000 21.557 -7.704 6.870 -99.200 -91.000 HIS 213 0.900 25.900 16.204 7.866 -99.200 -91.000 TRP 216 1.040 31.271 15.449 10.272 -99.200 -91.000 TRP6 216 1.020 29.868 13.560 10.000 -99.200 -91.000 TYR 220 0.840 28.631 11.900 -2.141 -99.200 -91.000 PHE 222 1.000 22.987 12.151 -2.238 -99.200 -91.000 TYR 226 0.840 18.621 -0.002 0.634 -99.200 -91.000