============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. HIS 1 0.900 9.318 3.736 9.218 -99.200 -91.000 TRP 2 1.040 4.750 0.762 11.815 -99.200 -91.000 TRP6 2 1.020 2.760 -0.522 11.884 -99.200 -91.000 TYR 4 0.840 1.045 -6.035 12.356 -99.200 -91.000 HIS 7 0.900 14.179 -10.845 10.293 -99.200 -91.000 HIS 12 0.900 12.838 -6.850 15.651 -99.200 -91.000 TRP 13 1.040 6.103 -2.834 16.045 -99.200 -91.000 TRP6 13 1.020 3.799 -3.201 16.451 -99.200 -91.000 HIS 14 0.900 12.660 -2.286 22.286 -99.200 -91.000 PHE 17 1.000 7.187 4.273 16.202 -99.200 -91.000 HIS 33 0.900 -13.569 -16.136 35.812 -99.200 -91.000 TYR 37 0.840 -22.651 -3.398 37.493 -99.200 -91.000 TYR 48 0.840 -20.990 4.045 14.798 -99.200 -91.000 HIS 61 0.900 -0.814 -0.092 9.015 -99.200 -91.000 PHE 63 1.000 -10.207 -4.088 5.198 -99.200 -91.000 PHE 67 1.000 -17.174 5.581 8.494 -99.200 -91.000 TYR 85 0.840 -14.159 10.349 23.238 -99.200 -91.000 PHE 90 1.000 -15.522 0.294 9.088 -99.200 -91.000 HIS 91 0.900 -7.903 -0.163 12.443 -99.200 -91.000 PHE 92 1.000 -13.076 -5.463 9.830 -99.200 -91.000 HIS 93 0.900 -5.559 -4.668 14.325 -99.200 -91.000 TRP 94 1.040 -6.820 -10.544 8.306 -99.200 -91.000 TRP6 94 1.020 -7.106 -8.259 7.783 -99.200 -91.000 HIS 104 0.900 -8.275 -5.025 23.271 -99.200 -91.000 TYR 111 0.840 -13.817 -13.928 20.695 -99.200 -91.000 HIS 116 0.900 -8.825 -2.632 17.193 -99.200 -91.000 HIS 119 0.900 -15.753 5.706 17.658 -99.200 -91.000 TRP 120 1.040 -11.736 12.831 15.473 -99.200 -91.000 TRP6 120 1.020 -12.228 15.151 15.665 -99.200 -91.000 TYR 124 0.840 -8.613 16.870 23.868 -99.200 -91.000 PHE 127 1.000 -6.509 10.213 14.709 -99.200 -91.000 PHE 143 1.000 -12.669 -9.679 21.521 -99.200 -91.000 PHE 172 1.000 -16.842 0.327 1.344 -99.200 -91.000 PHE 175 1.000 -19.793 -0.440 5.683 -99.200 -91.000 TYR 187 0.840 -19.318 -0.458 28.247 -99.200 -91.000 TRP 188 1.040 -15.278 -7.461 30.002 -99.200 -91.000 TRP6 188 1.020 -15.598 -8.984 28.215 -99.200 -91.000 TYR 190 0.840 -7.791 -1.837 27.976 -99.200 -91.000 TRP 205 1.040 -8.116 0.220 23.651 -99.200 -91.000 TRP6 205 1.020 -8.791 -0.730 21.591 -99.200 -91.000 PHE 222 1.000 -11.724 -8.990 6.692 -99.200 -91.000 PHE 227 1.000 1.132 -7.822 6.287 -99.200 -91.000 TRP 241 1.040 -2.444 -11.698 15.484 -99.200 -91.000 TRP6 241 1.020 -1.540 -12.697 17.450 -99.200 -91.000 PHE 256 1.000 -20.635 -7.964 31.143 -99.200 -91.000