============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 59 rings ring int. center anis. iso. PHE 2 1.000 8.384 35.590 -8.306 -99.200 -91.000 TRP 11 1.040 -8.045 23.305 -3.082 -99.200 -91.000 TRP6 11 1.020 -6.318 21.863 -3.818 -99.200 -91.000 HIS 13 0.900 -10.210 27.965 -3.976 -99.200 -91.000 TYR 24 0.840 -20.329 22.132 -1.726 -99.200 -91.000 HIS 32 0.900 -17.803 26.451 -14.267 -99.200 -91.000 TYR 33 0.840 -10.543 26.452 -17.671 -99.200 -91.000 TRP 42 1.040 -14.950 28.578 -23.447 -99.200 -91.000 TRP6 42 1.020 -14.809 27.086 -21.600 -99.200 -91.000 TRP 53 1.040 -23.703 29.612 -26.474 -99.200 -91.000 TRP6 53 1.020 -25.357 29.256 -28.124 -99.200 -91.000 TYR 54 0.840 -19.659 28.994 -22.532 -99.200 -91.000 TYR 57 0.840 -27.048 32.995 -26.265 -99.200 -91.000 HIS 65 0.900 -23.594 37.755 -6.182 -99.200 -91.000 TRP 68 1.040 -22.898 35.052 -10.893 -99.200 -91.000 TRP6 68 1.020 -25.108 34.902 -10.057 -99.200 -91.000 PHE 71 1.000 -25.654 27.820 -5.121 -99.200 -91.000 TYR 79 0.840 -19.338 10.417 -9.068 -99.200 -91.000 TYR 82 0.840 -26.629 12.058 -7.464 -99.200 -91.000 TYR 92 0.840 -38.166 3.047 -0.662 -99.200 -91.000 PHE 97 1.000 -39.669 0.361 -10.004 -99.200 -91.000 PHE 100 1.000 -45.657 -2.271 -3.858 -99.200 -91.000 HIS 105 0.900 -49.345 -2.165 -8.032 -99.200 -91.000 TRP 113 1.040 -53.540 2.915 -12.825 -99.200 -91.000 TRP6 113 1.020 -53.951 5.215 -12.496 -99.200 -91.000 HIS 115 0.900 -57.003 0.923 -22.036 -99.200 -91.000 TYR 121 0.840 -45.647 6.278 -15.108 -99.200 -91.000 TYR 126 0.840 -41.056 10.789 -26.172 -99.200 -91.000 PHE 128 1.000 -40.544 12.548 -15.493 -99.200 -91.000 HIS 129 0.900 -33.458 12.964 -23.201 -99.200 -91.000 TYR 137 0.840 -27.829 26.318 -22.655 -99.200 -91.000 TRP 161 1.040 -37.017 12.124 -11.094 -99.200 -91.000 TRP6 161 1.020 -37.692 14.399 -11.265 -99.200 -91.000 HIS 164 0.900 -37.232 6.036 -10.690 -99.200 -91.000 TYR 167 0.840 -38.158 -2.251 -14.036 -99.200 -91.000 HIS 170 0.900 -40.555 -4.554 -20.830 -99.200 -91.000 TYR 176 0.840 -53.158 -4.265 -17.017 -99.200 -91.000 HIS 184 0.900 -49.491 3.067 -30.552 -99.200 -91.000 TRP 189 1.040 -43.059 14.950 -26.517 -99.200 -91.000 TRP6 189 1.020 -43.231 16.185 -24.460 -99.200 -91.000 TRP 195 1.040 -49.047 13.556 -23.173 -99.200 -91.000 TRP6 195 1.020 -47.694 13.646 -21.244 -99.200 -91.000 PHE 209 1.000 -30.217 28.363 -27.458 -99.200 -91.000 TRP 211 1.040 -26.082 32.720 -16.015 -99.200 -91.000 TRP6 211 1.020 -26.797 31.868 -13.924 -99.200 -91.000 PHE 215 1.000 -31.738 29.249 -11.147 -99.200 -91.000 PHE 231 1.000 -42.787 14.164 -10.231 -99.200 -91.000 TRP 239 1.040 -55.920 6.545 -1.597 -99.200 -91.000 TRP6 239 1.020 -58.076 7.416 -1.125 -99.200 -91.000 HIS 260 0.900 -33.910 18.054 -8.845 -99.200 -91.000 TRP 263 1.040 -30.120 22.894 -7.353 -99.200 -91.000 TRP6 263 1.020 -29.599 24.572 -8.956 -99.200 -91.000 HIS 270 0.900 -24.257 34.083 -3.936 -99.200 -91.000 HIS 278 0.900 -37.911 41.378 -6.283 -99.200 -91.000 TRP 284 1.040 -35.429 36.392 -17.820 -99.200 -91.000 TRP6 284 1.020 -33.268 36.287 -16.881 -99.200 -91.000 TRP 288 1.040 -39.572 31.738 -19.693 -99.200 -91.000 TRP6 288 1.020 -39.673 30.222 -21.519 -99.200 -91.000 TYR 299 0.840 -50.334 15.341 -16.974 -99.200 -91.000