============================================================================= 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. TRP 14 1.040 -7.335 31.112 46.532 -99.200 -91.000 TRP6 14 1.020 -6.608 28.866 46.511 -99.200 -91.000 HIS 20 0.900 -17.031 27.135 51.043 -99.200 -91.000 TYR 24 0.840 -13.122 24.096 48.972 -99.200 -91.000 PHE 33 1.000 -1.136 14.299 55.787 -99.200 -91.000 PHE 36 1.000 0.221 10.994 45.680 -99.200 -91.000 TYR 42 0.840 8.929 15.290 54.578 -99.200 -91.000 PHE 43 1.000 2.657 17.266 57.715 -99.200 -91.000 HIS 45 0.900 4.774 17.526 64.022 -99.200 -91.000 PHE 46 1.000 0.338 18.329 62.234 -99.200 -91.000 HIS 50 0.900 -12.507 12.592 57.574 -99.200 -91.000 HIS 58 0.900 0.246 22.353 57.666 -99.200 -91.000 HIS 72 0.900 0.837 40.123 48.377 -99.200 -91.000 HIS 87 0.900 7.661 25.140 53.781 -99.200 -91.000 HIS 89 0.900 17.787 28.125 54.875 -99.200 -91.000 PHE 98 1.000 7.430 22.033 48.588 -99.200 -91.000 HIS 103 0.900 -2.894 14.496 41.396 -99.200 -91.000 HIS 112 0.900 -15.130 20.725 47.844 -99.200 -91.000 PHE 117 1.000 -9.855 21.489 37.816 -99.200 -91.000 HIS 122 0.900 -6.564 19.991 34.979 -99.200 -91.000 PHE 128 1.000 -1.181 30.282 42.461 -99.200 -91.000 TYR 140 0.840 13.875 22.982 50.125 -99.200 -91.000