============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. PHE 16 1.000 43.515 -17.271 64.043 -99.200 -91.000 PHE 19 1.000 41.936 -13.239 72.745 -99.200 -91.000 HIS 37 0.900 35.271 -29.756 69.014 -99.200 -91.000 TYR 38 0.840 36.076 -23.267 71.369 -99.200 -91.000 TYR 49 0.840 40.936 -22.232 73.176 -99.200 -91.000 PHE 51 1.000 36.348 -21.862 78.265 -99.200 -91.000 PHE 55 1.000 31.846 -13.358 86.749 -99.200 -91.000 HIS 64 0.900 11.028 -13.361 87.236 -99.200 -91.000 TYR 66 0.840 21.701 -20.558 84.079 -99.200 -91.000 PHE 78 1.000 36.474 -18.555 83.622 -99.200 -91.000 PHE 85 1.000 40.786 -28.774 79.027 -99.200 -91.000 HIS 94 0.900 29.340 -8.921 84.196 -99.200 -91.000 HIS 97 0.900 31.474 -6.406 93.973 -99.200 -91.000 PHE 114 1.000 25.010 -3.007 76.260 -99.200 -91.000 PHE 139 1.000 28.356 3.673 73.531 -99.200 -91.000 PHE 152 1.000 41.302 0.012 80.889 -99.200 -91.000 HIS 153 0.900 48.262 3.795 77.501 -99.200 -91.000 PHE 169 1.000 24.170 0.766 58.153 -99.200 -91.000 TYR 171 0.840 15.810 3.715 65.575 -99.200 -91.000 PHE 181 1.000 38.814 -4.888 62.230 -99.200 -91.000 PHE 195 1.000 35.351 -9.044 63.134 -99.200 -91.000 HIS 199 0.900 29.166 -11.338 71.681 -99.200 -91.000 PHE 222 1.000 35.324 -12.467 72.467 -99.200 -91.000 HIS 226 0.900 24.949 -23.722 68.072 -99.200 -91.000 HIS 231 0.900 28.934 -29.917 62.802 -99.200 -91.000 PHE 236 1.000 34.644 -19.548 61.585 -99.200 -91.000