============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. TYR 2 0.840 34.184-224.738 39.392 -99.200 -91.000 PHE 9 1.000 32.150-216.666 45.753 -99.200 -91.000 PHE 16 1.000 40.310-224.386 44.766 -99.200 -91.000 TYR 20 0.840 45.856-222.379 43.126 -99.200 -91.000 PHE 42 1.000 55.883-203.510 63.145 -99.200 -91.000 HIS 67 0.900 51.026-193.086 62.473 -99.200 -91.000 TYR 72 0.840 56.580-206.057 52.343 -99.200 -91.000 HIS 81 0.900 50.458-202.116 43.733 -99.200 -91.000 PHE 93 1.000 42.423-190.476 58.753 -99.200 -91.000 TYR 97 0.840 39.140-187.232 57.874 -99.200 -91.000 PHE 106 1.000 48.418-198.413 56.919 -99.200 -91.000 TYR 113 0.840 45.263-201.157 46.483 -99.200 -91.000 HIS 117 0.900 44.122-205.287 43.818 -99.200 -91.000 TYR 120 0.840 36.677-205.774 40.144 -99.200 -91.000 PHE 126 1.000 47.845-206.472 46.206 -99.200 -91.000 PHE 132 1.000 49.012-203.542 58.630 -99.200 -91.000 HIS 141 0.900 45.675-199.872 68.062 -99.200 -91.000 TYR 143 0.840 44.879-203.905 63.145 -99.200 -91.000 TYR 151 0.840 41.567-205.495 58.580 -99.200 -91.000 TRP 152 1.040 41.041-211.953 61.562 -99.200 -91.000 TRP6 152 1.020 38.765-211.461 61.919 -99.200 -91.000 TYR 154 0.840 47.167-211.832 64.307 -99.200 -91.000 HIS 176 0.900 56.252-218.881 79.751 -99.200 -91.000 TYR 194 0.840 69.806-214.961 65.430 -99.200 -91.000 HIS 197 0.900 67.893-218.924 59.239 -99.200 -91.000 PHE 205 1.000 69.150-215.254 61.014 -99.200 -91.000 TRP 211 1.040 62.583-199.459 68.431 -99.200 -91.000 TRP6 211 1.020 63.199-199.498 70.717 -99.200 -91.000 HIS 221 0.900 58.987-198.344 61.689 -99.200 -91.000 PHE 223 1.000 63.943-199.302 59.454 -99.200 -91.000 PHE 235 1.000 67.404-212.482 75.173 -99.200 -91.000