============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. PHE 11 1.000 11.591 64.108 62.194 -99.200 -91.000 HIS 25 0.900 12.533 66.006 75.007 -99.200 -91.000 PHE 38 1.000 -0.306 71.254 70.399 -99.200 -91.000 TYR 62 0.840 -2.857 55.523 75.335 -99.200 -91.000 HIS 66 0.900 -3.385 56.769 79.360 -99.200 -91.000 PHE 70 1.000 -3.386 62.337 67.231 -99.200 -91.000 PHE 86 1.000 -4.441 56.640 66.555 -99.200 -91.000 HIS 98 0.900 -2.089 73.359 61.515 -99.200 -91.000 TYR 101 0.840 -0.590 74.020 56.182 -99.200 -91.000 TYR 102 0.840 0.700 77.020 49.500 -99.200 -91.000 PHE 103 1.000 -4.211 75.440 49.145 -99.200 -91.000 PHE 110 1.000 -13.839 77.632 51.328 -99.200 -91.000 TYR 114 0.840 -9.546 71.884 59.423 -99.200 -91.000 TYR 115 0.840 -10.599 74.686 63.775 -99.200 -91.000 HIS 124 0.900 -10.391 61.609 73.171 -99.200 -91.000 TYR 127 0.840 -7.265 70.855 74.759 -99.200 -91.000 TYR 129 0.840 -0.612 75.021 67.240 -99.200 -91.000 TYR 131 0.840 2.667 79.696 65.217 -99.200 -91.000 TYR 137 0.840 -6.565 81.717 56.231 -99.200 -91.000 HIS 161 0.900 -5.944 86.694 69.266 -99.200 -91.000 TYR 165 0.840 -8.847 83.024 71.079 -99.200 -91.000 TYR 175 0.840 -4.023 75.588 78.311 -99.200 -91.000 TYR 183 0.840 6.282 88.289 85.309 -99.200 -91.000 TYR 184 0.840 4.539 90.245 80.634 -99.200 -91.000 PHE 196 1.000 13.097 79.394 73.967 -99.200 -91.000 PHE 199 1.000 16.046 75.630 75.366 -99.200 -91.000 TYR 236 0.840 23.104 79.991 66.137 -99.200 -91.000 TYR 243 0.840 14.977 68.441 66.807 -99.200 -91.000 PHE 249 1.000 20.411 74.965 78.650 -99.200 -91.000 TYR 252 0.840 16.986 63.729 77.242 -99.200 -91.000 TYR 256 0.840 21.138 64.457 63.832 -99.200 -91.000 PHE 262 1.000 17.987 72.111 54.840 -99.200 -91.000 HIS 288 0.900 20.614 76.757 93.051 -99.200 -91.000