============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. TRP 13 1.040 15.595 8.071 0.319 -99.200 -91.000 TRP6 13 1.020 13.847 6.916 1.418 -99.200 -91.000 PHE 22 1.000 31.886 16.455 5.603 -99.200 -91.000 TYR 51 0.840 22.539 16.939 24.956 -99.200 -91.000 PHE 53 1.000 23.378 5.400 23.238 -99.200 -91.000 PHE 57 1.000 28.864 4.543 24.219 -99.200 -91.000 HIS 61 0.900 30.647 2.621 26.990 -99.200 -91.000 TYR 67 0.840 32.958 18.986 25.631 -99.200 -91.000 HIS 72 0.900 25.126 25.989 28.561 -99.200 -91.000 HIS 74 0.900 24.882 25.313 16.012 -99.200 -91.000 HIS 76 0.900 24.063 23.242 10.314 -99.200 -91.000 PHE 153 1.000 26.053 -3.037 1.020 -99.200 -91.000 TYR 154 0.840 25.791 -8.113 1.352 -99.200 -91.000 PHE 159 1.000 30.340 -0.713 -11.807 -99.200 -91.000 HIS 167 0.900 33.161 -2.243 9.614 -99.200 -91.000 PHE 168 1.000 25.913 -5.024 6.195 -99.200 -91.000 HIS 171 0.900 24.877 -1.125 22.213 -99.200 -91.000 TYR 172 0.840 27.320 5.079 19.078 -99.200 -91.000 PHE 176 1.000 33.538 4.890 21.777 -99.200 -91.000 PHE 180 1.000 35.026 8.225 18.189 -99.200 -91.000