============================================================================= 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 31.881 43.936 27.257 -99.200 -91.000 HIS 25 0.900 39.221 50.088 18.447 -99.200 -91.000 PHE 38 1.000 32.602 60.350 26.335 -99.200 -91.000 TYR 62 0.840 47.045 56.910 32.953 -99.200 -91.000 PHE 70 1.000 36.911 56.845 34.766 -99.200 -91.000 PHE 90 1.000 43.971 55.914 36.773 -99.200 -91.000 TYR 98 0.840 25.967 57.647 30.973 -99.200 -91.000 TYR 101 0.840 21.525 55.032 33.064 -99.200 -91.000 TYR 102 0.840 13.742 52.583 34.278 -99.200 -91.000 TYR 103 0.840 14.968 55.718 38.320 -99.200 -91.000 HIS 110 0.900 15.452 66.168 43.220 -99.200 -91.000 TYR 114 0.840 24.448 62.567 38.203 -99.200 -91.000 PHE 115 1.000 24.974 66.178 34.671 -99.200 -91.000 HIS 124 0.900 41.871 64.316 36.293 -99.200 -91.000 TYR 127 0.840 35.670 67.612 28.640 -99.200 -91.000 TYR 129 0.840 27.271 60.671 26.072 -99.200 -91.000 TYR 131 0.840 22.381 59.113 22.968 -99.200 -91.000 PHE 150 1.000 28.252 69.995 32.970 -99.200 -91.000 HIS 162 0.900 20.334 70.785 22.658 -99.200 -91.000 TYR 166 0.840 24.949 72.173 25.102 -99.200 -91.000 TYR 176 0.840 34.816 68.156 22.022 -99.200 -91.000 TYR 201 0.840 32.279 52.070 11.749 -99.200 -91.000 PHE 226 1.000 26.505 64.512 1.505 -99.200 -91.000 HIS 228 0.900 31.973 57.916 8.818 -99.200 -91.000 PHE 238 1.000 21.582 42.584 9.429 -99.200 -91.000 TYR 245 0.840 31.599 45.035 19.936 -99.200 -91.000 TYR 250 0.840 34.843 44.909 5.199 -99.200 -91.000 PHE 251 1.000 35.108 49.683 6.501 -99.200 -91.000 TYR 254 0.840 42.111 46.630 15.498 -99.200 -91.000 TYR 258 0.840 32.570 36.593 21.257 -99.200 -91.000 PHE 264 1.000 20.996 39.072 22.839 -99.200 -91.000