============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 64 rings ring int. center anis. iso. PHE 2 1.000 37.681 108.131 7.829 -99.200 -91.000 TYR 4 0.840 38.088 105.045 12.270 -99.200 -91.000 TYR 10 0.840 27.481 120.799 9.663 -99.200 -91.000 TYR 17 0.840 32.659 117.165 -2.477 -99.200 -91.000 TYR 32 0.840 10.650 95.653 -2.114 -99.200 -91.000 TYR 44 0.840 25.620 106.239 -5.504 -99.200 -91.000 TYR 47 0.840 32.704 106.462 -13.102 -99.200 -91.000 TYR 49 0.840 27.739 96.826 -8.916 -99.200 -91.000 TYR 55 0.840 31.389 97.525 -5.176 -99.200 -91.000 PHE 58 1.000 23.911 104.706 5.344 -99.200 -91.000 TYR 59 0.840 19.910 97.764 2.829 -99.200 -91.000 HIS 62 0.900 10.464 107.744 3.349 -99.200 -91.000 PHE 72 1.000 19.829 108.021 -4.091 -99.200 -91.000 HIS 84 0.900 31.164 116.213 -7.335 -99.200 -91.000 PHE 101 1.000 8.443 106.164 6.911 -99.200 -91.000 PHE 111 1.000 12.011 99.386 5.719 -99.200 -91.000 TYR 112 0.840 11.181 95.452 13.514 -99.200 -91.000 PHE 115 1.000 17.221 96.305 6.645 -99.200 -91.000 PHE 122 1.000 14.422 93.454 -5.520 -99.200 -91.000 TYR 127 0.840 21.742 95.955 -7.825 -99.200 -91.000 TYR 130 0.840 32.711 92.902 1.791 -99.200 -91.000 HIS 145 0.900 32.230 93.504 5.829 -99.200 -91.000 PHE 148 1.000 17.553 101.106 7.954 -99.200 -91.000 PHE 151 1.000 15.310 114.706 8.275 -99.200 -91.000 TRP 159 1.040 17.148 105.947 17.324 -99.200 -91.000 TRP6 159 1.020 19.259 105.650 18.357 -99.200 -91.000 TYR 160 0.840 10.648 100.891 17.284 -99.200 -91.000 TYR 168 0.840 19.303 89.313 9.068 -99.200 -91.000 TYR 171 0.840 30.256 100.055 10.842 -99.200 -91.000 PHE 172 1.000 22.578 99.459 13.847 -99.200 -91.000 TYR 179 0.840 14.162 102.147 20.856 -99.200 -91.000 TRP 180 1.040 9.425 108.563 18.966 -99.200 -91.000 TRP6 180 1.020 7.653 109.177 17.594 -99.200 -91.000 TYR 181 0.840 10.229 99.019 23.950 -99.200 -91.000 TYR 206 0.840 27.307 97.147 20.147 -99.200 -91.000 PHE 207 1.000 31.888 99.694 15.212 -99.200 -91.000 PHE 209 1.000 29.320 110.096 13.046 -99.200 -91.000 TYR 219 0.840 20.279 119.182 21.459 -99.200 -91.000 HIS 234 0.900 25.244 97.299 27.462 -99.200 -91.000 PHE 235 1.000 25.640 102.116 22.739 -99.200 -91.000 TYR 237 0.840 30.156 110.645 22.644 -99.200 -91.000 PHE 241 1.000 32.171 104.979 14.909 -99.200 -91.000 PHE 246 1.000 26.262 106.743 21.742 -99.200 -91.000 TYR 247 0.840 31.319 112.389 17.632 -99.200 -91.000 PHE 248 1.000 23.348 113.943 19.513 -99.200 -91.000 HIS 256 0.900 13.258 117.551 11.491 -99.200 -91.000 TRP 257 1.040 16.034 122.098 4.015 -99.200 -91.000 TRP6 257 1.020 17.780 123.564 3.422 -99.200 -91.000 TRP 258 1.040 15.777 114.886 3.577 -99.200 -91.000 TRP6 258 1.020 17.430 113.291 4.017 -99.200 -91.000 TYR 260 0.840 21.228 123.769 7.693 -99.200 -91.000 HIS 263 0.900 25.976 119.782 3.383 -99.200 -91.000 TYR 264 0.840 23.224 116.961 10.206 -99.200 -91.000 TYR 266 0.840 31.502 115.493 2.657 -99.200 -91.000 TYR 271 0.840