============================================================================= 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 7 0.900 -0.639 -21.802 -11.287 -99.200 -91.000 HIS 18 0.900 -23.025 -11.296 -6.596 -99.200 -91.000 PHE 19 1.000 -20.788 -7.651 -13.974 -99.200 -91.000 HIS 27 0.900 -6.743 4.822 -16.738 -99.200 -91.000 PHE 28 1.000 -4.690 0.195 -15.808 -99.200 -91.000 TYR 32 0.840 -18.513 -4.197 -11.235 -99.200 -91.000 HIS 33 0.900 -19.712 -6.500 -2.068 -99.200 -91.000 HIS 41 0.900 -18.122 -10.826 -0.169 -99.200 -91.000 PHE 53 1.000 -5.509 -10.718 -17.537 -99.200 -91.000 PHE 63 1.000 5.029 -11.704 -6.328 -99.200 -91.000 HIS 65 0.900 4.468 -11.734 4.150 -99.200 -91.000 TYR 85 0.840 -15.814 -7.205 1.019 -99.200 -91.000 HIS 88 0.900 -12.905 -3.664 9.595 -99.200 -91.000 PHE 94 1.000 -9.934 0.495 10.618 -99.200 -91.000 HIS 100 0.900 -13.002 2.579 11.598 -99.200 -91.000 PHE 110 1.000 -3.740 -1.207 11.834 -99.200 -91.000 TYR 120 0.840 6.375 -12.791 -0.466 -99.200 -91.000 PHE 126 1.000 5.823 -5.970 -7.643 -99.200 -91.000 HIS 128 0.900 3.073 -0.939 -4.250 -99.200 -91.000 PHE 142 1.000 -9.844 -4.791 12.994 -99.200 -91.000 PHE 149 1.000 1.190 -7.014 -5.287 -99.200 -91.000 TYR 156 0.840 -7.489 0.936 -7.136 -99.200 -91.000 TYR 160 0.840 -4.123 12.532 -1.663 -99.200 -91.000 TYR 161 0.840 -1.838 8.375 -7.706 -99.200 -91.000 TRP 169 1.040 2.571 8.674 -0.052 -99.200 -91.000 TRP6 169 1.020 0.974 10.348 -0.514 -99.200 -91.000 PHE 180 1.000 8.635 5.444 -9.461 -99.200 -91.000 TRP 187 1.040 10.942 9.622 0.240 -99.200 -91.000 TRP6 187 1.020 12.773 11.123 0.439 -99.200 -91.000 PHE 189 1.000 7.624 1.074 6.307 -99.200 -91.000 TRP 194 1.040 4.319 12.632 8.903 -99.200 -91.000 TRP6 194 1.020 2.409 13.586 7.892 -99.200 -91.000 TYR 204 0.840 6.075 16.329 2.148 -99.200 -91.000 PHE 210 1.000 3.202 22.405 -11.581 -99.200 -91.000 TYR 215 0.840 8.429 21.761 2.466 -99.200 -91.000 TYR 227 0.840 -2.172 10.728 18.415 -99.200 -91.000 TYR 233 0.840 10.715 12.811 12.953 -99.200 -91.000 TRP 240 1.040 10.939 10.095 4.594 -99.200 -91.000 TRP6 240 1.020 9.986 11.061 6.498 -99.200 -91.000 HIS 241 0.900 21.261 8.817 3.996 -99.200 -91.000 PHE 250 1.000 10.467 -1.862 2.314 -99.200 -91.000 PHE 261 1.000 3.308 -4.460 17.987 -99.200 -91.000 PHE 264 1.000 4.347 1.845 21.896 -99.200 -91.000 HIS 268 0.900 -8.870 -0.760 19.428 -99.200 -91.000 TYR 269 0.840 -8.634 -1.363 15.492 -99.200 -91.000