============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 14 rings ring int. center anis. iso. PHE 15 1.000 13.895 25.225 71.247 -99.200 -91.000 PHE 29 1.000 27.623 26.082 74.211 -99.200 -91.000 HIS 35 0.900 10.834 18.272 64.641 -99.200 -91.000 HIS 46 0.900 9.983 22.833 66.706 -99.200 -91.000 PHE 48 1.000 19.714 27.627 70.089 -99.200 -91.000 PHE 72 1.000 7.567 30.511 59.367 -99.200 -91.000 PHE 97 1.000 26.394 30.543 70.177 -99.200 -91.000 HIS 107 0.900 19.352 38.186 82.919 -99.200 -91.000 TRP 108 1.040 23.667 36.887 74.876 -99.200 -91.000 TRP6 108 1.020 25.477 35.784 73.814 -99.200 -91.000 PHE 110 1.000 17.207 28.005 74.540 -99.200 -91.000 PHE 111 1.000 14.219 34.158 69.844 -99.200 -91.000 PHE 114 1.000 5.807 26.849 62.078 -99.200 -91.000 HIS 117 0.900 6.448 25.966 66.589 -99.200 -91.000