============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. PHE 13 1.000 -17.018 4.807 12.189 -99.200 -91.000 TRP 14 1.040 -14.865 9.898 17.706 -99.200 -91.000 TRP6 14 1.020 -13.878 7.756 17.761 -99.200 -91.000 TYR 34 0.840 1.949 -4.399 19.825 -99.200 -91.000 TRP 36 1.040 7.291 -2.875 24.376 -99.200 -91.000 TRP6 36 1.020 6.833 -4.354 22.587 -99.200 -91.000 PHE 40 1.000 6.496 2.680 29.218 -99.200 -91.000 PHE 41 1.000 0.039 1.862 31.046 -99.200 -91.000 PHE 44 1.000 -3.173 1.756 35.012 -99.200 -91.000 HIS 62 0.900 -4.141 5.189 31.002 -99.200 -91.000 PHE 70 1.000 -8.608 8.967 18.024 -99.200 -91.000 HIS 76 0.900 -9.669 21.067 19.737 -99.200 -91.000 PHE 84 1.000 -3.210 14.676 21.153 -99.200 -91.000 HIS 91 0.900 1.756 10.272 26.992 -99.200 -91.000 HIS 96 0.900 11.737 8.529 31.965 -99.200 -91.000 PHE 102 1.000 4.089 8.571 22.070 -99.200 -91.000 PHE 117 1.000 -17.633 1.135 16.449 -99.200 -91.000 PHE 121 1.000 -12.402 1.517 10.886 -99.200 -91.000 PHE 129 1.000 -11.741 7.133 12.250 -99.200 -91.000 HIS 142 0.900 7.133 19.163 17.377 -99.200 -91.000 TYR 144 0.840 12.161 10.392 21.306 -99.200 -91.000 HIS 145 0.900 10.658 14.219 16.475 -99.200 -91.000