============================================================================= 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. HIS 3 0.900 7.524 11.569 21.770 -99.200 -91.000 HIS 9 0.900 12.120 20.095 23.453 -99.200 -91.000 PHE 34 1.000 17.546 34.667 6.672 -99.200 -91.000 TRP 36 1.040 13.236 27.230 11.083 -99.200 -91.000 TRP6 36 1.020 15.307 26.803 12.119 -99.200 -91.000 TYR 37 0.840 13.777 26.528 2.884 -99.200 -91.000 PHE 38 1.000 14.105 18.022 6.377 -99.200 -91.000 PHE 51 1.000 13.680 12.092 8.341 -99.200 -91.000 TYR 57 0.840 4.327 31.297 8.959 -99.200 -91.000 PHE 58 1.000 -0.267 25.962 12.085 -99.200 -91.000 HIS 72 0.900 3.071 24.202 14.192 -99.200 -91.000 PHE 73 1.000 9.992 21.927 9.012 -99.200 -91.000 HIS 74 0.900 2.447 17.940 12.073 -99.200 -91.000 HIS 83 0.900 15.579 7.129 10.960 -99.200 -91.000 TYR 89 0.840 14.884 31.553 10.049 -99.200 -91.000 TRP 93 1.040 17.374 34.603 -1.981 -99.200 -91.000 TRP6 93 1.020 15.139 34.370 -1.189 -99.200 -91.000 HIS 98 0.900 30.891 30.531 11.745 -99.200 -91.000 PHE 103 1.000 15.341 21.539 16.339 -99.200 -91.000 TYR 106 0.840 21.207 13.566 16.675 -99.200 -91.000