============================================================================= 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 34.228-224.746 39.152 -99.200 -91.000 PHE 11 1.000 32.296-216.767 45.642 -99.200 -91.000 PHE 18 1.000 40.492-224.457 44.562 -99.200 -91.000 TYR 22 0.840 46.076-222.507 42.806 -99.200 -91.000 PHE 44 1.000 56.047-203.544 63.019 -99.200 -91.000 HIS 69 0.900 51.092-192.993 62.322 -99.200 -91.000 TYR 74 0.840 56.571-206.085 52.102 -99.200 -91.000 HIS 83 0.900 50.574-202.228 43.762 -99.200 -91.000 PHE 95 1.000 42.391-190.751 58.721 -99.200 -91.000 TYR 99 0.840 38.895-187.545 57.789 -99.200 -91.000 PHE 108 1.000 48.487-198.330 56.922 -99.200 -91.000 TYR 115 0.840 45.380-201.281 46.877 -99.200 -91.000 HIS 119 0.900 44.424-205.231 44.027 -99.200 -91.000 TYR 122 0.840 36.870-205.792 40.219 -99.200 -91.000 PHE 128 1.000 48.038-206.225 46.513 -99.200 -91.000 PHE 134 1.000 48.738-203.515 58.875 -99.200 -91.000 HIS 143 0.900 45.820-199.626 68.109 -99.200 -91.000 TYR 145 0.840 45.130-203.968 63.216 -99.200 -91.000 TYR 153 0.840 41.731-205.740 58.569 -99.200 -91.000 TRP 154 1.040 41.063-212.044 61.845 -99.200 -91.000 TRP6 154 1.020 38.799-211.381 62.025 -99.200 -91.000 TYR 156 0.840 47.102-211.838 63.914 -99.200 -91.000 HIS 178 0.900 56.584-219.347 79.446 -99.200 -91.000 TYR 196 0.840 70.184-215.168 65.280 -99.200 -91.000 HIS 199 0.900 68.338-218.972 59.004 -99.200 -91.000 PHE 207 1.000 69.385-215.268 60.485 -99.200 -91.000 TRP 213 1.040 62.583-199.549 68.610 -99.200 -91.000 TRP6 213 1.020 63.130-199.830 70.895 -99.200 -91.000 HIS 223 0.900 59.408-198.079 61.432 -99.200 -91.000 PHE 225 1.000 64.221-199.576 59.409 -99.200 -91.000 PHE 237 1.000 67.379-213.017 74.963 -99.200 -91.000