============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. PHE 4 1.000 22.443 53.721 8.932 -99.200 -91.000 TYR 7 0.840 34.606 54.070 9.791 -99.200 -91.000 TYR 14 0.840 35.548 46.213 3.720 -99.200 -91.000 PHE 15 1.000 31.693 47.966 7.589 -99.200 -91.000 PHE 19 1.000 26.011 50.228 0.832 -99.200 -91.000 PHE 23 1.000 28.017 46.184 4.622 -99.200 -91.000 TRP 25 1.040 26.805 41.825 9.351 -99.200 -91.000 TRP6 25 1.020 26.131 40.338 11.048 -99.200 -91.000 TYR 31 0.840 26.246 35.265 24.457 -99.200 -91.000 PHE 36 1.000 29.837 27.816 21.068 -99.200 -91.000 HIS 40 0.900 25.498 35.331 5.052 -99.200 -91.000 TYR 52 0.840 20.610 46.510 7.423 -99.200 -91.000 PHE 61 1.000 22.682 31.308 23.679 -99.200 -91.000 TRP 75 1.040 23.800 43.598 24.406 -99.200 -91.000 TRP6 75 1.020 25.192 41.738 24.875 -99.200 -91.000 TYR 83 0.840 42.234 41.983 13.111 -99.200 -91.000 HIS 104 0.900 28.877 44.198 34.133 -99.200 -91.000 HIS 108 0.900 36.766 36.499 21.568 -99.200 -91.000 HIS 110 0.900 35.634 34.616 18.209 -99.200 -91.000 TYR 113 0.840 32.587 43.597 10.092 -99.200 -91.000 PHE 127 1.000 44.254 46.657 15.732 -99.200 -91.000 HIS 128 0.900 39.103 50.760 12.066 -99.200 -91.000 PHE 129 1.000 41.452 50.317 19.460 -99.200 -91.000 HIS 132 0.900 30.246 48.564 17.054 -99.200 -91.000 TYR 146 0.840 11.957 42.340 21.528 -99.200 -91.000 TYR 149 0.840 20.966 55.825 19.792 -99.200 -91.000 TYR 156 0.840 43.666 55.613 13.605 -99.200 -91.000 HIS 166 0.900 54.427 53.216 16.215 -99.200 -91.000