============================================================================= 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 16 1.000 -1.642 7.173 89.708 -99.200 -91.000 TRP 20 1.040 -6.298 1.691 93.231 -99.200 -91.000 TRP6 20 1.020 -7.142 3.550 94.425 -99.200 -91.000 TYR 30 0.840 -4.569 -12.667 94.758 -99.200 -91.000 HIS 47 0.900 2.208 5.386 99.807 -99.200 -91.000 HIS 57 0.900 -4.024 -11.696 105.055 -99.200 -91.000 TRP 61 1.040 9.216 -9.263 100.696 -99.200 -91.000 TRP6 61 1.020 10.425 -11.199 101.299 -99.200 -91.000 PHE 71 1.000 13.220 -6.555 91.924 -99.200 -91.000 PHE 82 1.000 -0.335 -8.997 89.827 -99.200 -91.000 HIS 83 0.900 9.263 -5.239 86.644 -99.200 -91.000 PHE 122 1.000 7.094 -4.914 81.623 -99.200 -91.000 HIS 134 0.900 0.175 8.511 59.634 -99.200 -91.000 TYR 139 0.840 -1.164 3.966 67.123 -99.200 -91.000 TRP 144 1.040 5.549 -4.494 69.034 -99.200 -91.000 TRP6 144 1.020 6.164 -4.652 71.298 -99.200 -91.000 PHE 149 1.000 9.326 9.951 65.569 -99.200 -91.000 TRP 158 1.040 15.414 10.531 74.520 -99.200 -91.000 TRP6 158 1.020 16.906 8.708 74.219 -99.200 -91.000 TYR 160 0.840 11.546 8.139 81.563 -99.200 -91.000 PHE 161 1.000 7.842 8.112 74.554 -99.200 -91.000 TRP 172 1.040 5.938 -9.849 74.657 -99.200 -91.000 TRP6 172 1.020 4.409 -11.419 75.544 -99.200 -91.000 TYR 174 0.840 14.441 -15.562 80.312 -99.200 -91.000 PHE 182 1.000 6.303 -10.966 79.939 -99.200 -91.000 PHE 194 1.000 -2.855 11.095 94.409 -99.200 -91.000 HIS 216 0.900 4.245 17.075 82.287 -99.200 -91.000 TYR 217 0.840 -0.607 22.413 77.702 -99.200 -91.000 PHE 225 1.000 -6.898 11.264 78.648 -99.200 -91.000 HIS 227 0.900 -10.750 5.462 88.194 -99.200 -91.000 HIS 235 0.900 -1.842 -3.980 86.118 -99.200 -91.000 TYR 237 0.840 -10.823 -10.624 83.183 -99.200 -91.000 PHE 239 1.000 -1.865 -14.245 89.194 -99.200 -91.000 TYR 248 0.840 -4.982 -9.532 77.104 -99.200 -91.000 HIS 253 0.900 -13.519 6.944 79.033 -99.200 -91.000 TYR 268 0.840 -12.751 19.822 88.551 -99.200 -91.000 TYR 271 0.840 -8.438 24.223 89.773 -99.200 -91.000 PHE 277 1.000 -5.062 23.606 75.525 -99.200 -91.000 PHE 289 1.000 -2.389 3.570 72.633 -99.200 -91.000 PHE 299 1.000 -11.195 -4.964 82.907 -99.200 -91.000 PHE 301 1.000 -11.563 -0.653 80.095 -99.200 -91.000 TYR 303 0.840 -13.889 3.407 88.569 -99.200 -91.000 PHE 309 1.000 -8.609 13.864 83.495 -99.200 -91.000 HIS 326 0.900 -5.038 28.045 88.749 -99.200 -91.000