============================================================================= 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 4 0.840 33.764-224.617 39.153 -99.200 -91.000 PHE 11 1.000 31.940-216.775 45.616 -99.200 -91.000 PHE 18 1.000 39.824-224.339 44.428 -99.200 -91.000 TYR 22 0.840 45.614-222.484 42.812 -99.200 -91.000 PHE 44 1.000 55.648-203.674 63.129 -99.200 -91.000 HIS 69 0.900 50.847-193.035 62.528 -99.200 -91.000 TYR 74 0.840 56.171-206.101 52.106 -99.200 -91.000 HIS 83 0.900 50.154-202.212 43.772 -99.200 -91.000 PHE 95 1.000 42.120-190.703 58.884 -99.200 -91.000 TYR 99 0.840 38.633-187.592 57.906 -99.200 -91.000 PHE 108 1.000 48.179-198.303 57.007 -99.200 -91.000 TYR 115 0.840 44.984-201.212 46.866 -99.200 -91.000 HIS 119 0.900 44.073-205.229 44.017 -99.200 -91.000 TYR 122 0.840 36.598-205.683 40.314 -99.200 -91.000 PHE 128 1.000 47.867-206.210 46.574 -99.200 -91.000 PHE 134 1.000 48.332-203.596 58.900 -99.200 -91.000 HIS 143 0.900 45.506-199.672 68.162 -99.200 -91.000 TYR 145 0.840 44.882-203.923 63.236 -99.200 -91.000 TYR 153 0.840 41.436-205.758 58.609 -99.200 -91.000 TRP 154 1.040 40.650-211.992 61.913 -99.200 -91.000 TRP6 154 1.020 38.411-211.245 62.072 -99.200 -91.000 TYR 156 0.840 46.698-211.863 63.926 -99.200 -91.000 HIS 178 0.900 56.264-219.353 79.577 -99.200 -91.000 TYR 196 0.840 69.595-215.237 65.298 -99.200 -91.000 HIS 199 0.900 67.957-219.117 59.089 -99.200 -91.000 PHE 207 1.000 68.895-215.410 60.488 -99.200 -91.000 TRP 213 1.040 62.275-199.702 68.611 -99.200 -91.000 TRP6 213 1.020 62.800-200.023 70.898 -99.200 -91.000 HIS 223 0.900 58.973-198.111 61.498 -99.200 -91.000 PHE 225 1.000 63.797-199.571 59.480 -99.200 -91.000 PHE 237 1.000 67.032-213.092 74.903 -99.200 -91.000