============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. PHE 2 1.000 -8.544 17.188 14.634 -99.200 -91.000 HIS 5 0.900 -1.684 24.056 22.323 -99.200 -91.000 HIS 31 0.900 -3.162 36.036 7.764 -99.200 -91.000 PHE 35 1.000 -8.013 35.104 12.417 -99.200 -91.000 TYR 39 0.840 -9.712 31.197 22.602 -99.200 -91.000 HIS 54 0.900 -19.150 35.184 17.608 -99.200 -91.000 PHE 55 1.000 -11.146 34.448 16.107 -99.200 -91.000 TRP 67 1.040 -13.797 42.489 1.253 -99.200 -91.000 TRP6 67 1.020 -14.772 44.275 2.458 -99.200 -91.000 PHE 82 1.000 -14.922 39.148 16.918 -99.200 -91.000 PHE 108 1.000 -10.973 42.597 23.265 -99.200 -91.000 TRP 125 1.040 -17.056 55.970 23.507 -99.200 -91.000 TRP6 125 1.020 -16.679 57.619 25.155 -99.200 -91.000 HIS 137 0.900 -14.934 59.716 11.194 -99.200 -91.000 TYR 141 0.840 -14.862 55.784 7.005 -99.200 -91.000 PHE 162 1.000 -20.334 56.665 9.325 -99.200 -91.000 HIS 211 0.900 -29.874 35.234 3.669 -99.200 -91.000 TYR 225 0.840 -32.739 61.024 5.647 -99.200 -91.000 HIS 235 0.900 -40.097 58.203 15.900 -99.200 -91.000