============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. PHE 2 1.000 0.320 -10.120 -6.840 -99.200 -91.000 TRP 3 1.040 4.728 -13.023 -6.950 -99.200 -91.000 TRP6 3 1.020 3.740 -13.331 -4.824 -99.200 -91.000 TRP 5 1.040 1.177 -3.158 -5.991 -99.200 -91.000 TRP6 5 1.020 -0.199 -4.702 -4.863 -99.200 -91.000 PHE 10 1.000 3.400 -7.602 2.409 -99.200 -91.000 HIS 15 0.900 4.786 9.756 5.179 -99.200 -91.000 TRP 30 1.040 8.686 -1.492 6.778 -99.200 -91.000 TRP6 30 1.020 10.753 -0.898 7.746 -99.200 -91.000 TYR 40 0.840 7.357 -2.485 21.062 -99.200 -91.000 HIS 41 0.900 14.786 1.501 24.564 -99.200 -91.000 TRP 46 1.040 13.504 -10.063 20.832 -99.200 -91.000 TRP6 46 1.020 14.434 -8.769 19.116 -99.200 -91.000 TYR 50 0.840 0.376 -6.441 11.362 -99.200 -91.000 HIS 52 0.900 -0.268 -13.282 18.944 -99.200 -91.000 TYR 61 0.840 4.085 -1.104 25.083 -99.200 -91.000 PHE 78 1.000 15.763 -0.538 5.656 -99.200 -91.000 HIS 80 0.900 7.200 2.169 7.204 -99.200 -91.000 TYR 86 0.840 13.210 7.067 22.865 -99.200 -91.000 HIS 96 0.900 17.830 -13.811 0.829 -99.200 -91.000 TYR 97 0.840 13.004 -9.141 -1.902 -99.200 -91.000 HIS 136 0.900 31.417 7.371 7.261 -99.200 -91.000 HIS 137 0.900 27.795 9.538 7.341 -99.200 -91.000 PHE 138 1.000 23.602 3.874 11.748 -99.200 -91.000 TYR 143 0.840 29.152 -7.096 17.986 -99.200 -91.000 PHE 145 1.000 28.537 -11.582 13.186 -99.200 -91.000 PHE 162 1.000 33.298 0.643 9.612 -99.200 -91.000