============================================================================= 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. PHE 14 1.000 -17.743 67.062 36.601 -99.200 -91.000 PHE 41 1.000 -10.060 41.385 40.394 -99.200 -91.000 HIS 56 0.900 -27.047 65.457 49.237 -99.200 -91.000 HIS 57 0.900 -24.777 61.849 57.609 -99.200 -91.000 TYR 66 0.840 -20.937 56.029 36.702 -99.200 -91.000 PHE 67 1.000 -14.199 61.314 33.879 -99.200 -91.000 TYR 68 0.840 -16.278 53.547 33.396 -99.200 -91.000 TYR 79 0.840 -5.866 53.778 34.391 -99.200 -91.000 TYR 86 0.840 -10.489 69.509 47.055 -99.200 -91.000 HIS 92 0.900 -2.156 66.794 58.288 -99.200 -91.000 TYR 98 0.840 -6.899 77.203 64.349 -99.200 -91.000 TYR 99 0.840 -2.347 71.643 67.564 -99.200 -91.000 PHE 113 1.000 -13.970 71.369 62.116 -99.200 -91.000 PHE 115 1.000 -23.501 66.039 67.388 -99.200 -91.000 HIS 125 0.900 -19.329 52.384 61.574 -99.200 -91.000 HIS 133 0.900 -13.068 56.174 55.267 -99.200 -91.000 HIS 139 0.900 -2.875 63.904 55.417 -99.200 -91.000 PHE 155 1.000 -16.826 56.914 52.195 -99.200 -91.000 TYR 170 0.840 -3.038 45.253 52.193 -99.200 -91.000 TYR 175 0.840 1.885 57.329 62.099 -99.200 -91.000 TYR 176 0.840 -4.507 58.331 61.677 -99.200 -91.000 PHE 183 1.000 -3.279 42.439 69.007 -99.200 -91.000 HIS 187 0.900 -13.960 36.603 59.055 -99.200 -91.000 TYR 188 0.840 -11.196 44.205 59.573 -99.200 -91.000 TRP 195 1.040 -7.754 52.568 67.398 -99.200 -91.000 TRP6 195 1.020 -7.450 52.019 69.657 -99.200 -91.000 PHE 201 1.000 -12.105 64.244 71.458 -99.200 -91.000 PHE 211 1.000 -2.739 55.489 70.621 -99.200 -91.000 HIS 221 0.900 7.069 50.710 72.841 -99.200 -91.000 HIS 242 0.900 1.768 35.349 69.670 -99.200 -91.000 TYR 248 0.840 2.196 43.105 75.411 -99.200 -91.000 TRP 255 1.040 -7.055 59.928 77.804 -99.200 -91.000 TRP6 255 1.020 -5.821 59.270 75.901 -99.200 -91.000 PHE 259 1.000 -4.831 64.711 74.693 -99.200 -91.000 HIS 262 0.900 -0.578 72.774 72.067 -99.200 -91.000 TYR 271 0.840 -7.968 65.381 78.818 -99.200 -91.000 TYR 280 0.840 -5.389 47.975 74.896 -99.200 -91.000 TYR 289 0.840 -26.774 56.916 65.002 -99.200 -91.000 HIS 294 0.900 -18.906 62.084 76.986 -99.200 -91.000 TYR 296 0.840 -15.925 67.215 73.602 -99.200 -91.000 PHE 297 1.000 -19.815 65.282 70.908 -99.200 -91.000 HIS 301 0.900 -27.538 68.800 72.372 -99.200 -91.000 PHE 318 1.000 -27.674 68.883 67.642 -99.200 -91.000 PHE 320 1.000 -28.921 63.209 64.321 -99.200 -91.000