============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. TRP 20 1.040 11.938 109.109 -1.877 -99.200 -91.000 TRP6 20 1.020 11.117 106.930 -1.488 -99.200 -91.000 HIS 26 0.900 13.103 119.847 -5.146 -99.200 -91.000 HIS 54 0.900 12.775 106.380 -21.186 -99.200 -91.000 PHE 71 1.000 2.421 118.989 -13.508 -99.200 -91.000 HIS 76 0.900 -9.154 111.450 -22.517 -99.200 -91.000 PHE 80 1.000 -0.008 112.806 -17.352 -99.200 -91.000 PHE 103 1.000 18.100 128.544 -3.577 -99.200 -91.000 TRP 108 1.040 24.263 124.278 -6.663 -99.200 -91.000 TRP6 108 1.020 22.751 125.853 -5.758 -99.200 -91.000 HIS 109 0.900 18.155 123.991 -1.649 -99.200 -91.000 TRP 110 1.040 18.465 115.775 -2.746 -99.200 -91.000 TRP6 110 1.020 16.178 115.882 -2.204 -99.200 -91.000 TRP 113 1.040 18.154 120.678 2.727 -99.200 -91.000 TRP6 113 1.020 17.283 120.890 4.909 -99.200 -91.000 HIS 118 0.900 29.811 119.096 9.174 -99.200 -91.000 PHE 127 1.000 25.939 125.389 -0.549 -99.200 -91.000 PHE 135 1.000 23.329 130.235 -0.954 -99.200 -91.000 TRP 136 1.040 26.903 134.120 2.182 -99.200 -91.000 TRP6 136 1.020 24.867 134.769 1.185 -99.200 -91.000 HIS 140 0.900 32.632 136.362 -6.375 -99.200 -91.000 PHE 149 1.000 20.433 134.144 -2.471 -99.200 -91.000 TYR 167 0.840 9.559 152.981 10.302 -99.200 -91.000 PHE 169 1.000 10.354 153.454 5.576 -99.200 -91.000 PHE 192 1.000 6.663 156.783 3.263 -99.200 -91.000 PHE 229 1.000 26.659 143.870 4.693 -99.200 -91.000 PHE 230 1.000 31.237 143.951 8.250 -99.200 -91.000 TYR 240 0.840 22.231 153.763 8.279 -99.200 -91.000 HIS 244 0.900 13.292 138.008 5.120 -99.200 -91.000 HIS 247 0.900 16.777 135.105 7.602 -99.200 -91.000 TRP 249 1.040 25.339 137.175 7.858 -99.200 -91.000 TRP6 249 1.020 27.369 136.482 6.870 -99.200 -91.000 PHE 287 1.000 9.583 121.495 8.090 -99.200 -91.000 PHE 306 1.000 17.070 139.409 15.200 -99.200 -91.000