============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. PHE 27 1.000 23.213 -48.569 55.248 -99.200 -91.000 PHE 29 1.000 18.820 -53.424 55.550 -99.200 -91.000 TYR 32 0.840 25.589 -49.696 59.976 -99.200 -91.000 TYR 33 0.840 21.214 -53.091 67.128 -99.200 -91.000 TRP 36 1.040 10.542 -48.333 60.417 -99.200 -91.000 TRP6 36 1.020 10.075 -47.117 58.446 -99.200 -91.000 TRP 47 1.040 13.289 -45.841 68.643 -99.200 -91.000 TRP6 47 1.020 12.657 -47.666 70.010 -99.200 -91.000 PHE 50 1.000 16.348 -51.565 68.848 -99.200 -91.000 TYR 58 0.840 18.962 -59.927 60.190 -99.200 -91.000 TYR 62 0.840 7.910 -53.937 67.462 -99.200 -91.000 PHE 70 1.000 2.058 -48.086 64.181 -99.200 -91.000 TYR 82 0.840 9.656 -54.139 53.295 -99.200 -91.000 TYR 96 0.840 4.520 -42.862 60.807 -99.200 -91.000 TYR 97 0.840 11.666 -37.744 59.482 -99.200 -91.000 TYR 106 0.840 33.114 -56.044 59.819 -99.200 -91.000 TYR 109 0.840 28.345 -49.730 69.623 -99.200 -91.000 PHE 112 1.000 18.343 -43.652 66.007 -99.200 -91.000 TYR 114 0.840 24.914 -41.558 56.756 -99.200 -91.000 TRP 115 1.040 18.195 -39.159 61.302 -99.200 -91.000 TRP6 115 1.020 16.349 -39.279 62.766 -99.200 -91.000 TYR 134 0.840 -8.092 -19.679 42.525 -99.200 -91.000 TYR 152 0.840 -2.882 -28.080 49.738 -99.200 -91.000 PHE 153 1.000 -7.368 -33.882 54.176 -99.200 -91.000 TRP 161 1.040 7.858 -19.336 43.027 -99.200 -91.000 TRP6 161 1.020 6.204 -18.114 41.872 -99.200 -91.000 TYR 163 0.840 9.920 -25.576 34.314 -99.200 -91.000 PHE 181 1.000 -11.861 -29.056 50.712 -99.200 -91.000 TYR 182 0.840 -4.077 -29.269 55.469 -99.200 -91.000 TRP 195 1.040 5.911 -10.891 35.638 -99.200 -91.000 TRP6 195 1.020 4.242 -9.516 36.581 -99.200 -91.000 HIS 206 0.900 -2.517 -32.744 46.728 -99.200 -91.000