============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. HIS 3 0.900 110.988 10.182 4.085 -99.200 -91.000 PHE 11 1.000 97.530 26.650 2.692 -99.200 -91.000 TYR 15 0.840 102.971 25.437 -1.120 -99.200 -91.000 HIS 17 0.900 100.705 14.731 0.447 -99.200 -91.000 PHE 31 1.000 94.314 3.997 -12.159 -99.200 -91.000 TRP 62 1.040 86.691 15.050 11.133 -99.200 -91.000 TRP6 62 1.020 85.153 14.180 9.555 -99.200 -91.000 TYR 65 0.840 92.328 15.084 10.305 -99.200 -91.000 TYR 66 0.840 87.989 21.996 3.101 -99.200 -91.000 PHE 92 1.000 83.812 10.982 -7.145 -99.200 -91.000 TYR 94 0.840 77.840 2.526 -1.743 -99.200 -91.000 TYR 107 0.840 99.223 -7.541 17.129 -99.200 -91.000 TRP 120 1.040 96.148 -1.216 -0.537 -99.200 -91.000 TRP6 120 1.020 96.720 0.145 -2.387 -99.200 -91.000 PHE 122 1.000 93.358 0.543 -6.807 -99.200 -91.000 PHE 123 1.000 92.461 -1.279 -11.358 -99.200 -91.000 PHE 145 1.000 100.490 9.036 5.903 -99.200 -91.000 PHE 157 1.000 106.520 2.866 12.398 -99.200 -91.000 TYR 166 0.840 91.298 0.810 3.696 -99.200 -91.000 HIS 170 0.900 84.517 -4.781 -1.135 -99.200 -91.000 HIS 182 0.900 91.785 5.734 2.551 -99.200 -91.000 TYR 198 0.840 86.382 0.824 19.951 -99.200 -91.000 PHE 212 1.000 90.180 -5.390 9.654 -99.200 -91.000 HIS 219 0.900 99.046 -4.014 26.874 -99.200 -91.000 PHE 222 1.000 91.049 -1.019 17.484 -99.200 -91.000 PHE 226 1.000 85.064 1.120 8.949 -99.200 -91.000 HIS 244 0.900 89.105 -8.293 7.768 -99.200 -91.000 HIS 247 0.900 86.183 -13.429 4.154 -99.200 -91.000 HIS 252 0.900 79.655 -6.715 10.623 -99.200 -91.000 TRP 266 1.040 84.858 -16.888 2.653 -99.200 -91.000 TRP6 266 1.020 83.894 -15.099 1.441 -99.200 -91.000 HIS 269 0.900 90.427 -15.641 7.810 -99.200 -91.000 PHE 274 1.000 98.719 -25.240 6.124 -99.200 -91.000 PHE 279 1.000 105.531 -16.448 12.372 -99.200 -91.000 PHE 286 1.000 104.510 -11.125 10.402 -99.200 -91.000 TRP 290 1.040 103.569 -10.523 5.326 -99.200 -91.000 TRP6 290 1.020 101.243 -10.220 5.628 -99.200 -91.000 TYR 296 0.840 100.841 -16.233 -10.362 -99.200 -91.000 PHE 298 1.000 92.063 -15.619 -9.098 -99.200 -91.000 TYR 304 0.840 96.889 -7.522 -15.581 -99.200 -91.000 PHE 315 1.000 101.731 -0.482 0.939 -99.200 -91.000 TYR 319 0.840 102.973 -1.341 10.637 -99.200 -91.000 HIS 321 0.900 103.430 -3.467 16.752 -99.200 -91.000 PHE 340 1.000 110.927 2.476 2.238 -99.200 -91.000 PHE 344 1.000 108.149 7.086 14.138 -99.200 -91.000