============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. HIS 13 0.900 -6.380 19.539 59.829 -99.200 -91.000 PHE 15 1.000 1.441 22.991 54.926 -99.200 -91.000 TYR 20 0.840 9.526 23.220 41.685 -99.200 -91.000 TRP 21 1.040 14.292 26.992 47.687 -99.200 -91.000 TRP6 21 1.020 12.869 28.627 48.535 -99.200 -91.000 PHE 28 1.000 32.004 41.104 37.601 -99.200 -91.000 TYR 34 0.840 16.381 35.876 41.171 -99.200 -91.000 PHE 44 1.000 -12.187 23.107 46.669 -99.200 -91.000 TYR 46 0.840 -7.404 16.292 40.054 -99.200 -91.000 HIS 47 0.900 -3.215 18.476 46.545 -99.200 -91.000 HIS 62 0.900 13.662 32.353 44.610 -99.200 -91.000 TYR 68 0.840 -5.665 23.401 47.378 -99.200 -91.000 TYR 78 0.840 -11.677 26.965 52.227 -99.200 -91.000 TRP 80 1.040 -9.157 21.726 58.443 -99.200 -91.000 TRP6 80 1.020 -8.874 22.212 60.742 -99.200 -91.000 TRP 91 1.040 9.451 26.479 55.249 -99.200 -91.000 TRP6 91 1.020 9.985 26.276 52.975 -99.200 -91.000 HIS 99 0.900 16.811 28.637 49.477 -99.200 -91.000 HIS 100 0.900 20.509 35.142 48.373 -99.200 -91.000 PHE 111 1.000 -2.651 28.083 38.126 -99.200 -91.000 HIS 116 0.900 -13.698 28.923 47.578 -99.200 -91.000 TYR 121 0.840 -3.765 33.757 52.903 -99.200 -91.000 TYR 134 0.840 -12.138 32.052 58.945 -99.200 -91.000 HIS 135 0.900 -7.837 29.962 65.561 -99.200 -91.000 HIS 138 0.900 0.403 29.769 64.416 -99.200 -91.000 TYR 139 0.840 -0.112 30.393 60.259 -99.200 -91.000 HIS 143 0.900 -1.985 37.907 49.639 -99.200 -91.000 TYR 150 0.840 -7.849 27.245 34.836 -99.200 -91.000 PHE 159 1.000 -16.558 22.392 41.991 -99.200 -91.000 TRP 176 1.040 -20.316 27.628 51.764 -99.200 -91.000 TRP6 176 1.020 -22.615 27.347 52.183 -99.200 -91.000 PHE 190 1.000 -3.478 38.594 34.237 -99.200 -91.000 TRP 192 1.040 -5.277 32.702 32.639 -99.200 -91.000 TRP6 192 1.020 -4.130 32.465 34.658 -99.200 -91.000 TYR 208 0.840 -11.559 37.933 43.905 -99.200 -91.000 HIS 214 0.900 -15.216 46.690 48.621 -99.200 -91.000 TYR 220 0.840 -12.443 37.749 33.384 -99.200 -91.000 HIS 221 0.900 -6.537 40.734 29.955 -99.200 -91.000 PHE 223 1.000 -6.525 35.345 26.056 -99.200 -91.000 TYR 229 0.840 -6.403 30.788 14.773 -99.200 -91.000 TRP 237 1.040 -2.231 32.156 30.175 -99.200 -91.000 TRP6 237 1.020 -1.318 32.529 32.317 -99.200 -91.000 TRP 244 1.040 -2.395 43.373 36.641 -99.200 -91.000 TRP6 244 1.020 -2.068 42.179 38.637 -99.200 -91.000