============================================================================= 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 33.495-224.430 39.131 -99.200 -91.000 PHE 11 1.000 31.753-216.615 45.768 -99.200 -91.000 PHE 18 1.000 39.838-224.214 44.685 -99.200 -91.000 TYR 22 0.840 45.262-222.361 42.763 -99.200 -91.000 PHE 44 1.000 55.392-203.560 63.154 -99.200 -91.000 HIS 69 0.900 50.597-192.865 62.405 -99.200 -91.000 TYR 74 0.840 55.896-205.929 52.114 -99.200 -91.000 HIS 83 0.900 49.906-202.059 43.790 -99.200 -91.000 PHE 95 1.000 41.905-190.544 58.913 -99.200 -91.000 TYR 99 0.840 38.416-187.472 57.962 -99.200 -91.000 PHE 108 1.000 47.865-198.159 56.996 -99.200 -91.000 TYR 115 0.840 44.693-201.035 46.741 -99.200 -91.000 HIS 119 0.900 43.729-205.138 44.093 -99.200 -91.000 TYR 122 0.840 36.341-205.407 40.350 -99.200 -91.000 PHE 128 1.000 47.487-206.057 46.704 -99.200 -91.000 PHE 134 1.000 48.077-203.378 58.997 -99.200 -91.000 HIS 143 0.900 45.432-199.635 68.139 -99.200 -91.000 TYR 145 0.840 44.587-203.841 63.247 -99.200 -91.000 TYR 153 0.840 41.161-205.590 58.683 -99.200 -91.000 TRP 154 1.040 40.353-211.815 61.867 -99.200 -91.000 TRP6 154 1.020 38.101-211.104 62.120 -99.200 -91.000 TYR 156 0.840 46.310-211.843 63.986 -99.200 -91.000 HIS 178 0.900 55.613-219.478 79.468 -99.200 -91.000 TYR 196 0.840 69.423-215.081 65.284 -99.200 -91.000 HIS 199 0.900 67.592-218.834 58.961 -99.200 -91.000 PHE 207 1.000 68.820-215.266 60.471 -99.200 -91.000 TRP 213 1.040 62.013-199.576 68.637 -99.200 -91.000 TRP6 213 1.020 62.597-199.806 70.917 -99.200 -91.000 HIS 223 0.900 58.591-198.069 61.552 -99.200 -91.000 PHE 225 1.000 63.643-199.591 59.453 -99.200 -91.000 PHE 237 1.000 66.697-212.890 75.013 -99.200 -91.000