============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. TYR 29 0.840 13.908 17.364 39.158 -99.200 -91.000 PHE 37 1.000 20.555 8.975 40.345 -99.200 -91.000 TYR 58 0.840 8.821 13.821 56.214 -99.200 -91.000 PHE 61 1.000 10.789 3.456 49.246 -99.200 -91.000 PHE 67 1.000 23.147 2.212 52.679 -99.200 -91.000 HIS 72 0.900 6.466 15.151 52.307 -99.200 -91.000 TYR 79 0.840 7.216 6.194 45.418 -99.200 -91.000 HIS 91 0.900 4.827 16.095 34.126 -99.200 -91.000 HIS 93 0.900 10.109 14.087 37.937 -99.200 -91.000 PHE 98 1.000 12.371 -3.292 42.955 -99.200 -91.000 TYR 105 0.840 8.174 10.661 43.478 -99.200 -91.000 PHE 111 1.000 5.747 21.988 44.446 -99.200 -91.000 TRP 114 1.040 13.068 9.137 46.336 -99.200 -91.000 TRP6 114 1.020 14.117 7.392 45.082 -99.200 -91.000 TYR 125 0.840 14.625 13.443 57.710 -99.200 -91.000 PHE 126 1.000 10.973 11.160 60.009 -99.200 -91.000 TYR 137 0.840 -8.585 6.955 70.155 -99.200 -91.000 PHE 140 1.000 -3.473 14.124 68.823 -99.200 -91.000 PHE 145 1.000 -4.850 18.607 69.945 -99.200 -91.000 TYR 159 0.840 -0.182 25.278 67.233 -99.200 -91.000 TYR 173 0.840 -7.831 12.682 54.769 -99.200 -91.000 TRP 179 1.040 -19.051 19.402 58.520 -99.200 -91.000 TRP6 179 1.020 -19.649 17.128 58.863 -99.200 -91.000 HIS 184 0.900 -14.556 29.981 61.064 -99.200 -91.000 HIS 198 0.900 -12.489 13.589 74.689 -99.200 -91.000 HIS 201 0.900 -6.982 12.795 71.517 -99.200 -91.000 TYR 236 0.840 -10.154 19.424 49.496 -99.200 -91.000 HIS 261 0.900 -12.797 23.363 50.419 -99.200 -91.000 PHE 262 1.000 -16.770 28.456 56.794 -99.200 -91.000