============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TYR 10 0.840 0.802 6.920 43.132 -99.200 -91.000 PHE 13 1.000 0.497 5.093 52.249 -99.200 -91.000 PHE 18 1.000 4.035 -2.451 52.116 -99.200 -91.000 TYR 26 0.840 14.824 -4.303 36.248 -99.200 -91.000 TYR 27 0.840 9.933 -4.641 34.803 -99.200 -91.000 PHE 39 1.000 12.896 15.138 31.825 -99.200 -91.000 TRP 46 1.040 21.714 21.623 40.612 -99.200 -91.000 TRP6 46 1.020 22.529 20.870 42.719 -99.200 -91.000 TRP 58 1.040 11.897 3.477 45.996 -99.200 -91.000 TRP6 58 1.020 9.573 3.046 45.838 -99.200 -91.000 TYR 64 0.840 22.271 9.724 45.267 -99.200 -91.000 TYR 70 0.840 24.015 10.359 31.275 -99.200 -91.000 PHE 81 1.000 8.179 18.085 58.420 -99.200 -91.000 TYR 82 0.840 16.245 20.981 61.454 -99.200 -91.000 TRP 88 1.040 9.219 7.783 57.625 -99.200 -91.000 TRP6 88 1.020 10.563 8.760 55.933 -99.200 -91.000 TYR 96 0.840 15.354 11.135 55.184 -99.200 -91.000 TYR 105 0.840 21.439 23.097 49.405 -99.200 -91.000 HIS 111 0.900 17.539 26.074 59.849 -99.200 -91.000 TYR 114 0.840 3.448 18.104 61.163 -99.200 -91.000 PHE 120 1.000 4.199 17.563 55.149 -99.200 -91.000 PHE 126 1.000 12.779 26.683 48.136 -99.200 -91.000 PHE 127 1.000 11.062 20.520 47.004 -99.200 -91.000 TYR 138 0.840 -1.294 11.727 40.349 -99.200 -91.000 TYR 148 0.840 -1.116 20.304 49.115 -99.200 -91.000 TYR 162 0.840 6.915 23.766 37.001 -99.200 -91.000 TYR 165 0.840 8.457 17.069 31.127 -99.200 -91.000 PHE 166 1.000 1.139 13.927 34.793 -99.200 -91.000