============================================================================= 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. PHE 13 1.000 31.170 12.554 50.320 -99.200 -91.000 HIS 14 0.900 29.094 5.369 46.084 -99.200 -91.000 PHE 15 1.000 25.820 2.707 54.126 -99.200 -91.000 PHE 20 1.000 17.728 -6.353 56.140 -99.200 -91.000 TRP 24 1.040 17.708 2.084 58.409 -99.200 -91.000 TRP6 24 1.020 15.507 2.646 57.707 -99.200 -91.000 PHE 28 1.000 21.989 10.028 64.517 -99.200 -91.000 TYR 30 0.840 30.769 3.267 62.753 -99.200 -91.000 HIS 33 0.900 28.926 6.137 70.321 -99.200 -91.000 PHE 41 1.000 24.900 13.060 71.847 -99.200 -91.000 PHE 49 1.000 16.710 13.063 70.297 -99.200 -91.000 TYR 57 0.840 11.392 11.706 60.822 -99.200 -91.000 TYR 62 0.840 12.236 11.885 49.437 -99.200 -91.000 HIS 63 0.900 9.521 15.049 52.141 -99.200 -91.000 TRP 65 1.040 13.568 5.733 61.412 -99.200 -91.000 TRP6 65 1.020 14.681 7.417 62.688 -99.200 -91.000 HIS 67 0.900 14.490 13.036 53.353 -99.200 -91.000 HIS 73 0.900 26.060 7.957 54.578 -99.200 -91.000 TYR 76 0.840 30.097 9.036 59.319 -99.200 -91.000 PHE 86 1.000 31.559 22.628 59.324 -99.200 -91.000 HIS 101 0.900 15.760 16.556 57.285 -99.200 -91.000 HIS 105 0.900 7.040 16.508 54.949 -99.200 -91.000 PHE 108 1.000 -0.728 16.070 52.068 -99.200 -91.000 TYR 112 0.840 -2.819 20.288 50.567 -99.200 -91.000 PHE 116 1.000 -6.923 21.404 54.551 -99.200 -91.000 HIS 118 0.900 -2.445 21.835 59.210 -99.200 -91.000 TYR 124 0.840 5.285 26.899 63.812 -99.200 -91.000 HIS 132 0.900 4.651 20.388 63.541 -99.200 -91.000 HIS 133 0.900 9.458 19.181 59.425 -99.200 -91.000 PHE 134 1.000 14.231 24.576 67.140 -99.200 -91.000 HIS 146 0.900 12.589 10.655 75.488 -99.200 -91.000 PHE 149 1.000 22.083 18.138 72.167 -99.200 -91.000 TYR 157 0.840 19.132 22.433 75.980 -99.200 -91.000 TYR 176 0.840 19.966 25.874 46.415 -99.200 -91.000 PHE 177 1.000 15.781 27.725 44.439 -99.200 -91.000 TYR 187 0.840 35.043 29.690 45.542 -99.200 -91.000 HIS 195 0.900 38.519 31.583 60.960 -99.200 -91.000 HIS 199 0.900 30.958 35.790 55.330 -99.200 -91.000 TRP 220 1.040 19.998 4.987 36.353 -99.200 -91.000 TRP6 220 1.020 18.740 7.011 36.354 -99.200 -91.000 TYR 231 0.840 8.609 12.922 39.987 -99.200 -91.000 PHE 234 1.000 7.617 16.454 44.540 -99.200 -91.000 TRP 235 1.040 2.962 12.425 40.215 -99.200 -91.000 TRP6 235 1.020 3.873 10.425 39.439 -99.200 -91.000 PHE 267 1.000 15.722 19.168 42.271 -99.200 -91.000 TYR 268 0.840 19.587 15.423 38.662 -99.200 -91.000 TYR 276 0.840 24.591 17.880 45.663 -99.200 -91.000 TRP 300 1.040 17.116 11.767 36.028 -99.200 -91.000 TRP6 300 1.020 15.063 10.556 35.913 -99.200 -91.000