============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. PHE 11 1.000 31.936 43.806 93.170 -99.200 -91.000 HIS 25 0.900 39.347 50.102 84.455 -99.200 -91.000 PHE 38 1.000 33.124 60.930 92.521 -99.200 -91.000 TYR 62 0.840 47.053 56.799 98.971 -99.200 -91.000 PHE 70 1.000 36.960 56.868 100.766 -99.200 -91.000 PHE 90 1.000 43.901 55.818 102.728 -99.200 -91.000 TYR 98 0.840 26.071 57.537 96.938 -99.200 -91.000 TYR 101 0.840 21.645 54.757 99.111 -99.200 -91.000 TYR 102 0.840 13.773 52.455 100.163 -99.200 -91.000 TYR 103 0.840 14.995 55.556 104.291 -99.200 -91.000 HIS 110 0.900 15.414 65.819 109.349 -99.200 -91.000 TYR 114 0.840 24.503 62.292 104.223 -99.200 -91.000 PHE 115 1.000 25.020 66.025 100.828 -99.200 -91.000 HIS 124 0.900 42.004 64.198 102.377 -99.200 -91.000 TYR 127 0.840 35.685 67.459 94.724 -99.200 -91.000 TYR 129 0.840 27.721 60.275 92.390 -99.200 -91.000 TYR 131 0.840 22.480 59.012 88.917 -99.200 -91.000 PHE 150 1.000 28.229 69.821 99.005 -99.200 -91.000 HIS 162 0.900 20.456 70.563 88.683 -99.200 -91.000 TYR 166 0.840 24.958 72.026 91.179 -99.200 -91.000 TYR 176 0.840 34.799 68.077 88.165 -99.200 -91.000 TYR 201 0.840 32.435 52.088 77.742 -99.200 -91.000 PHE 226 1.000 26.520 64.669 67.612 -99.200 -91.000 HIS 228 0.900 32.009 58.016 74.818 -99.200 -91.000 PHE 238 1.000 21.727 42.626 75.418 -99.200 -91.000 TYR 245 0.840 31.749 45.069 85.854 -99.200 -91.000 TYR 250 0.840 34.892 45.123 71.012 -99.200 -91.000 PHE 251 1.000 35.066 49.735 72.516 -99.200 -91.000 TYR 254 0.840 42.208 46.768 81.438 -99.200 -91.000 TYR 258 0.840 32.650 36.558 87.122 -99.200 -91.000 PHE 264 1.000 21.223 38.936 88.677 -99.200 -91.000