============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. TYR 7 0.840 4.570 20.161 30.939 -99.200 -91.000 HIS 15 0.900 -6.771 15.861 51.646 -99.200 -91.000 PHE 24 1.000 1.687 -10.390 54.800 -99.200 -91.000 PHE 28 1.000 5.288 1.688 46.705 -99.200 -91.000 PHE 36 1.000 -3.084 8.309 39.763 -99.200 -91.000 TYR 41 0.840 -1.324 23.620 36.215 -99.200 -91.000 HIS 61 0.900 12.047 -2.384 44.596 -99.200 -91.000 PHE 70 1.000 3.301 2.108 41.270 -99.200 -91.000 TYR 74 0.840 -3.342 7.515 34.760 -99.200 -91.000 PHE 76 1.000 -4.321 11.521 31.532 -99.200 -91.000 TYR 77 0.840 -12.346 13.014 35.007 -99.200 -91.000 PHE 78 1.000 -8.005 17.054 28.733 -99.200 -91.000 TYR 81 0.840 -12.704 22.560 25.929 -99.200 -91.000 HIS 83 0.900 -14.116 10.475 30.713 -99.200 -91.000 TYR 90 0.840 2.673 6.197 36.923 -99.200 -91.000 TYR 93 0.840 11.870 0.978 35.840 -99.200 -91.000 PHE 97 1.000 4.767 5.482 23.206 -99.200 -91.000 PHE 107 1.000 -10.673 15.141 24.923 -99.200 -91.000 TYR 111 0.840 -8.993 4.832 16.829 -99.200 -91.000 TYR 121 0.840 9.207 8.077 42.066 -99.200 -91.000 PHE 126 1.000 5.078 17.042 27.530 -99.200 -91.000 TYR 127 0.840 0.525 11.613 31.493 -99.200 -91.000 PHE 129 1.000 -3.727 11.819 26.735 -99.200 -91.000 TYR 130 0.840 1.980 10.402 19.937 -99.200 -91.000 TYR 171 0.840 -10.616 25.811 37.883 -99.200 -91.000