============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. PHE 5 1.000 33.543 2.590 17.954 -99.200 -91.000 TYR 6 0.840 29.493 5.198 10.588 -99.200 -91.000 PHE 11 1.000 24.334 7.371 11.674 -99.200 -91.000 HIS 15 0.900 32.800 2.106 7.589 -99.200 -91.000 TYR 16 0.840 37.910 -0.756 14.112 -99.200 -91.000 HIS 22 0.900 38.711 -3.041 19.129 -99.200 -91.000 TYR 28 0.840 41.901 -0.316 14.846 -99.200 -91.000 PHE 29 1.000 37.338 5.325 16.221 -99.200 -91.000 TRP 42 1.040 28.746 -2.359 21.716 -99.200 -91.000 TRP6 42 1.020 30.868 -3.312 21.226 -99.200 -91.000 TYR 45 0.840 35.472 2.570 29.342 -99.200 -91.000 PHE 50 1.000 39.370 -1.282 28.264 -99.200 -91.000 TYR 55 0.840 31.063 9.605 26.625 -99.200 -91.000 PHE 56 1.000 23.843 1.246 28.316 -99.200 -91.000 TYR 62 0.840 23.472 5.760 20.334 -99.200 -91.000 TYR 65 0.840 30.131 15.545 20.690 -99.200 -91.000 TRP 68 1.040 28.500 9.108 22.531 -99.200 -91.000 TRP6 68 1.020 28.591 9.115 20.161 -99.200 -91.000 PHE 71 1.000 31.145 15.292 30.307 -99.200 -91.000 HIS 83 0.900 21.882 -12.220 29.116 -99.200 -91.000 HIS 87 0.900 20.648 -6.399 35.390 -99.200 -91.000 TYR 92 0.840 26.647 -1.383 51.873 -99.200 -91.000 TYR 97 0.840 31.863 -2.140 50.559 -99.200 -91.000 HIS 110 0.900 15.856 12.248 42.814 -99.200 -91.000 PHE 115 1.000 16.958 3.617 47.417 -99.200 -91.000 HIS 116 0.900 16.857 3.092 54.912 -99.200 -91.000 PHE 117 1.000 20.363 4.920 52.579 -99.200 -91.000 PHE 120 1.000 21.584 7.490 47.950 -99.200 -91.000 HIS 121 0.900 28.600 9.617 50.203 -99.200 -91.000 PHE 123 1.000 26.695 2.975 44.584 -99.200 -91.000 HIS 124 0.900 28.780 -7.067 47.493 -99.200 -91.000 TYR 129 0.840 28.826 -6.991 33.692 -99.200 -91.000 TRP 130 1.040 23.647 -3.081 38.559 -99.200 -91.000 TRP6 130 1.020 21.472 -2.440 39.317 -99.200 -91.000 TYR 133 0.840 23.078 6.831 33.812 -99.200 -91.000 TYR 138 0.840 17.674 6.077 34.612 -99.200 -91.000 TYR 143 0.840 31.007 8.352 37.188 -99.200 -91.000 TYR 150 0.840 32.408 -0.872 41.523 -99.200 -91.000 TYR 153 0.840 35.490 10.226 45.327 -99.200 -91.000 HIS 154 0.900 39.011 8.439 45.338 -99.200 -91.000 TRP 156 1.040 31.666 5.770 41.192 -99.200 -91.000 TRP6 156 1.020 31.206 5.305 43.468 -99.200 -91.000 PHE 172 1.000 16.363 0.558 25.055 -99.200 -91.000 TYR 173 0.840 12.638 -6.220 24.246 -99.200 -91.000