============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. TRP 10 1.040 2.519 24.174 16.158 -99.200 -91.000 TRP6 10 1.020 1.300 23.656 18.112 -99.200 -91.000 TYR 21 0.840 9.292 45.160 5.169 -99.200 -91.000 TRP 29 1.040 19.032 38.807 15.656 -99.200 -91.000 TRP6 29 1.020 18.856 39.344 17.944 -99.200 -91.000 PHE 31 1.000 10.857 40.894 13.319 -99.200 -91.000 TYR 64 0.840 21.897 38.204 27.110 -99.200 -91.000 PHE 73 1.000 25.027 33.465 18.090 -99.200 -91.000 PHE 78 1.000 14.350 31.154 22.139 -99.200 -91.000 TYR 80 0.840 16.836 40.716 27.056 -99.200 -91.000 TYR 93 0.840 11.487 48.078 23.333 -99.200 -91.000 TYR 95 0.840 11.734 45.527 13.456 -99.200 -91.000 TYR 104 0.840 11.739 44.387 30.276 -99.200 -91.000 TYR 108 0.840 4.719 49.933 28.587 -99.200 -91.000 TYR 116 0.840 18.498 28.390 25.454 -99.200 -91.000 TYR 121 0.840 24.426 20.168 12.076 -99.200 -91.000 HIS 145 0.900 22.227 29.408 -1.908 -99.200 -91.000 PHE 148 1.000 14.523 32.006 1.801 -99.200 -91.000 PHE 149 1.000 17.295 36.922 -1.454 -99.200 -91.000 TYR 151 0.840 8.164 29.447 -1.637 -99.200 -91.000 TYR 156 0.840 14.113 27.593 -1.629 -99.200 -91.000 TYR 157 0.840 16.223 19.868 -3.541 -99.200 -91.000 HIS 167 0.900 16.185 35.183 6.968 -99.200 -91.000 TYR 174 0.840 5.207 17.695 11.053 -99.200 -91.000 TYR 182 0.840 4.417 21.457 3.704 -99.200 -91.000 TRP 183 1.040 11.412 20.813 7.724 -99.200 -91.000 TRP6 183 1.020 10.648 19.792 9.700 -99.200 -91.000 TRP 189 1.040 13.237 38.735 4.642 -99.200 -91.000 TRP6 189 1.020 14.222 37.435 2.935 -99.200 -91.000 HIS 191 0.900 1.249 41.664 2.861 -99.200 -91.000 PHE 193 1.000 9.860 34.786 1.593 -99.200 -91.000 TYR 198 0.840 3.284 31.775 7.441 -99.200 -91.000 HIS 208 0.900 16.803 22.305 0.234 -99.200 -91.000 PHE 214 1.000 23.931 25.286 13.988 -99.200 -91.000 TYR 217 0.840 11.438 23.032 22.571 -99.200 -91.000