============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 58 rings ring int. center anis. iso. HIS 3 0.900 38.023 21.532 28.176 -99.200 -91.000 PHE 14 1.000 53.220 43.036 24.360 -99.200 -91.000 PHE 39 1.000 52.749 35.141 31.020 -99.200 -91.000 TYR 40 0.840 54.773 27.484 32.721 -99.200 -91.000 TYR 44 0.840 41.734 24.432 26.474 -99.200 -91.000 PHE 51 1.000 33.458 29.865 39.477 -99.200 -91.000 PHE 54 1.000 36.558 29.014 43.510 -99.200 -91.000 TYR 60 0.840 33.685 32.930 45.664 -99.200 -91.000 PHE 67 1.000 26.683 42.712 44.649 -99.200 -91.000 PHE 71 1.000 23.864 45.087 34.339 -99.200 -91.000 PHE 73 1.000 22.045 40.418 23.338 -99.200 -91.000 TRP 82 1.040 22.711 45.755 24.059 -99.200 -91.000 TRP6 82 1.020 22.674 47.676 22.699 -99.200 -91.000 TRP 83 1.040 24.758 44.769 28.136 -99.200 -91.000 TRP6 83 1.020 25.222 42.470 28.461 -99.200 -91.000 TRP 91 1.040 28.564 29.726 39.470 -99.200 -91.000 TRP6 91 1.020 29.145 27.482 38.996 -99.200 -91.000 HIS 93 0.900 20.386 28.277 38.109 -99.200 -91.000 HIS 103 0.900 22.270 23.598 28.120 -99.200 -91.000 HIS 107 0.900 29.108 26.167 25.588 -99.200 -91.000 HIS 111 0.900 25.544 35.910 34.387 -99.200 -91.000 TRP 114 1.040 39.796 42.091 39.010 -99.200 -91.000 TRP6 114 1.020 40.840 42.233 41.120 -99.200 -91.000 TYR 120 0.840 39.213 28.481 38.798 -99.200 -91.000 TRP 123 1.040 40.449 25.990 45.122 -99.200 -91.000 TRP6 123 1.020 40.151 24.762 43.130 -99.200 -91.000 TRP 134 1.040 43.925 38.621 28.134 -99.200 -91.000 TRP6 134 1.020 43.419 39.432 25.995 -99.200 -91.000 TYR 136 0.840 54.878 38.231 24.930 -99.200 -91.000 HIS 143 0.900 55.596 44.806 15.512 -99.200 -91.000 PHE 147 1.000 40.979 40.770 13.488 -99.200 -91.000 TRP 149 1.040 42.892 35.580 12.841 -99.200 -91.000 TRP6 149 1.020 41.421 35.550 14.702 -99.200 -91.000 HIS 159 0.900 32.889 32.802 10.645 -99.200 -91.000 TYR 160 0.840 41.880 30.989 11.985 -99.200 -91.000 TRP 164 1.040 25.580 40.038 16.143 -99.200 -91.000 TRP6 164 1.020 24.106 39.707 17.954 -99.200 -91.000 PHE 168 1.000 24.828 44.163 19.682 -99.200 -91.000 PHE 178 1.000 30.167 27.011 18.687 -99.200 -91.000 PHE 187 1.000 35.047 29.360 16.679 -99.200 -91.000 TYR 192 0.840 53.052 33.564 22.197 -99.200 -91.000 TYR 195 0.840 42.812 25.680 21.609 -99.200 -91.000 TRP 202 1.040 33.836 41.627 26.840 -99.200 -91.000 TRP6 202 1.020 35.508 43.182 26.253 -99.200 -91.000 TRP 204 1.040 36.485 39.841 35.392 -99.200 -91.000 TRP6 204 1.020 36.043 42.122 35.736 -99.200 -91.000 TRP 208 1.040 43.559 49.460 40.755 -99.200 -91.000 TRP6 208 1.020 41.297 49.184 41.367 -99.200 -91.000 TRP 209 1.040 39.733 52.353 32.135 -99.200 -91.000 TRP6 209 1.020 39.706 51.290 30.022 -99.200 -91.000 HIS 212 0.900 44.951 60.181 30.605 -99.200 -91.000 HIS 213 0.900 47.435 53.171 28.336 -99.200 -91.000 TYR 237 0.840 27.691 35.554 23.915 -99.200 -91.000 HIS 240 0.900 28.919 43.295 13.260 -99.200 -91.000 TYR 243 0.840 27.941 45.899 19.910 -99.200 -91.000 TYR 245 0.840 37.429 46.631 14.693 -99.200 -91.000 TYR 247 0.840 36.048 41.570 16.003 -99.200 -91.000 PHE 266 1.000 38.052 33.266 36.041 -99.200 -91.000