============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 49 rings ring int. center anis. iso. HIS 2 0.900 98.511 -2.468 46.130 -99.200 -91.000 PHE 3 1.000 97.702 2.041 49.015 -99.200 -91.000 PHE 5 1.000 98.571 9.834 50.394 -99.200 -91.000 TYR 8 0.840 98.290 26.428 44.629 -99.200 -91.000 PHE 17 1.000 84.828 10.227 50.844 -99.200 -91.000 PHE 37 1.000 76.041 14.216 32.620 -99.200 -91.000 PHE 43 1.000 73.534 6.962 47.264 -99.200 -91.000 PHE 47 1.000 83.674 3.427 44.713 -99.200 -91.000 TYR 57 0.840 76.938 24.053 43.805 -99.200 -91.000 PHE 63 1.000 71.245 15.724 35.279 -99.200 -91.000 PHE 75 1.000 71.948 14.182 29.447 -99.200 -91.000 PHE 92 1.000 82.653 -0.044 40.696 -99.200 -91.000 TYR 95 0.840 80.684 -2.314 35.656 -99.200 -91.000 PHE 97 1.000 86.577 -1.558 28.707 -99.200 -91.000 PHE 100 1.000 87.324 1.996 23.275 -99.200 -91.000 TYR 110 0.840 80.581 16.256 18.405 -99.200 -91.000 TYR 112 0.840 91.162 15.805 11.977 -99.200 -91.000 PHE 118 1.000 78.216 22.441 14.924 -99.200 -91.000 TRP 129 1.040 92.652 3.542 36.361 -99.200 -91.000 TRP6 129 1.020 94.615 3.469 37.707 -99.200 -91.000 HIS 134 0.900 87.431 -5.970 48.302 -99.200 -91.000 TYR 138 0.840 83.707 -8.608 34.312 -99.200 -91.000 HIS 139 0.900 82.518 -4.761 40.596 -99.200 -91.000 PHE 146 1.000 91.399 -1.976 26.592 -99.200 -91.000 PHE 147 1.000 88.902 4.882 27.199 -99.200 -91.000 HIS 149 0.900 95.955 3.108 18.440 -99.200 -91.000 PHE 162 1.000 98.313 20.180 46.115 -99.200 -91.000 PHE 180 1.000 90.627 13.241 38.001 -99.200 -91.000 PHE 181 1.000 90.207 5.936 33.259 -99.200 -91.000 TYR 187 0.840 87.036 7.157 45.033 -99.200 -91.000 TYR 199 0.840 94.747 22.769 44.294 -99.200 -91.000 TRP 220 1.040 99.617 5.084 34.989 -99.200 -91.000 TRP6 220 1.020 101.427 4.568 33.557 -99.200 -91.000 HIS 225 0.900 100.920 6.978 46.646 -99.200 -91.000 TRP 253 1.040 103.622 9.826 26.202 -99.200 -91.000 TRP6 253 1.020 105.844 9.284 26.793 -99.200 -91.000 HIS 272 0.900 101.128 -0.859 32.586 -99.200 -91.000 PHE 280 1.000 100.939 5.806 27.677 -99.200 -91.000 PHE 293 1.000 120.546 2.565 20.231 -99.200 -91.000 TYR 306 0.840 101.935 -12.145 36.536 -99.200 -91.000 PHE 310 1.000 93.120 -6.929 39.486 -99.200 -91.000 HIS 312 0.900 87.102 -13.109 45.203 -99.200 -91.000 PHE 314 1.000 93.924 -17.833 41.848 -99.200 -91.000 PHE 317 1.000 99.629 -15.622 45.543 -99.200 -91.000 TYR 318 0.840 96.807 -9.140 37.253 -99.200 -91.000 TRP 323 1.040 108.177 -7.803 48.736 -99.200 -91.000 TRP6 323 1.020 110.302 -7.403 49.697 -99.200 -91.000 TYR 326 0.840 114.921 -5.025 46.003 -99.200 -91.000 TYR 335 0.840 121.771 -5.967 30.275 -99.200 -91.000