============================================================================= 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. PHE 3 1.000 -4.738 -0.726 16.102 -99.200 -91.000 HIS 13 0.900 -12.437 -8.810 7.921 -99.200 -91.000 TYR 14 0.840 -4.719 -8.920 1.002 -99.200 -91.000 PHE 16 1.000 -11.837 -1.666 4.796 -99.200 -91.000 PHE 24 1.000 -0.856 5.299 1.514 -99.200 -91.000 TYR 29 0.840 -0.041 0.819 -3.995 -99.200 -91.000 HIS 34 0.900 6.271 -8.687 -6.050 -99.200 -91.000 TYR 38 0.840 7.381 -8.231 0.942 -99.200 -91.000 PHE 45 1.000 3.730 -6.560 5.522 -99.200 -91.000 HIS 46 0.900 3.313 -8.975 12.643 -99.200 -91.000 PHE 51 1.000 -12.466 -5.370 12.278 -99.200 -91.000 PHE 59 1.000 -4.043 0.090 4.610 -99.200 -91.000 TYR 62 0.840 2.620 -4.210 13.336 -99.200 -91.000 TRP 63 1.040 7.820 -4.116 7.290 -99.200 -91.000 TRP6 63 1.020 8.704 -5.991 6.134 -99.200 -91.000 PHE 65 1.000 12.433 -3.953 10.731 -99.200 -91.000 PHE 68 1.000 13.286 -0.441 14.348 -99.200 -91.000 TYR 69 0.840 6.233 -3.495 17.524 -99.200 -91.000 TYR 70 0.840 8.939 1.588 8.104 -99.200 -91.000 HIS 73 0.900 2.172 1.446 2.351 -99.200 -91.000 PHE 74 1.000 -2.791 5.152 10.653 -99.200 -91.000 TYR 85 0.840 -14.119 6.906 13.022 -99.200 -91.000 HIS 92 0.900 -6.082 -0.098 20.570 -99.200 -91.000 PHE 96 1.000 -2.162 -4.408 18.044 -99.200 -91.000 PHE 118 1.000 -2.798 13.048 13.298 -99.200 -91.000 TYR 119 0.840 1.687 10.840 11.763 -99.200 -91.000 HIS 122 0.900 -2.825 13.271 17.957 -99.200 -91.000 PHE 124 1.000 4.131 8.465 16.262 -99.200 -91.000 TRP 127 1.040 14.438 10.826 15.437 -99.200 -91.000 TRP6 127 1.020 15.170 8.587 15.329 -99.200 -91.000 TYR 131 0.840 14.215 7.163 5.562 -99.200 -91.000 TYR 132 0.840 17.133 11.576 -0.015 -99.200 -91.000 TYR 136 0.840 7.044 0.660 -1.286 -99.200 -91.000 PHE 142 1.000 17.218 5.183 -3.407 -99.200 -91.000 TYR 145 0.840 12.869 16.016 7.539 -99.200 -91.000 HIS 148 0.900 4.590 7.264 21.236 -99.200 -91.000 TYR 157 0.840 18.924 8.537 10.018 -99.200 -91.000 HIS 162 0.900 22.303 -1.938 7.164 -99.200 -91.000 HIS 165 0.900 17.569 3.280 3.057 -99.200 -91.000 TYR 169 0.840 11.079 1.150 2.008 -99.200 -91.000