============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. TYR 8 0.840 105.136 31.039 -17.851 -99.200 -91.000 PHE 10 1.000 97.980 25.266 -10.895 -99.200 -91.000 TRP 11 1.040 98.590 31.122 -12.781 -99.200 -91.000 TRP6 11 1.020 96.311 31.086 -12.149 -99.200 -91.000 PHE 13 1.000 97.620 20.670 -14.911 -99.200 -91.000 TYR 19 0.840 90.991 23.174 -25.879 -99.200 -91.000 TYR 20 0.840 90.434 16.106 -20.080 -99.200 -91.000 TYR 30 0.840 78.092 22.160 -26.679 -99.200 -91.000 PHE 46 1.000 86.360 26.332 -24.259 -99.200 -91.000 PHE 54 1.000 81.190 6.420 -22.409 -99.200 -91.000 HIS 58 0.900 75.074 -7.818 -18.092 -99.200 -91.000 PHE 86 1.000 60.842 37.203 -27.098 -99.200 -91.000 HIS 88 0.900 60.603 28.056 -29.008 -99.200 -91.000 TRP 104 1.040 58.130 11.604 -23.538 -99.200 -91.000 TRP6 104 1.020 58.851 10.353 -25.412 -99.200 -91.000 HIS 116 0.900 75.652 -10.093 -9.582 -99.200 -91.000 HIS 118 0.900 69.954 -12.147 -12.159 -99.200 -91.000 PHE 130 1.000 65.885 -6.518 -2.518 -99.200 -91.000 HIS 131 0.900 62.943 -7.666 4.534 -99.200 -91.000 TRP 158 1.040 57.169 -1.663 -9.518 -99.200 -91.000 TRP6 158 1.020 57.677 -2.384 -11.715 -99.200 -91.000 PHE 168 1.000 59.909 4.277 -11.025 -99.200 -91.000 HIS 194 0.900 48.605 15.194 -1.058 -99.200 -91.000 PHE 203 1.000 47.427 9.826 -9.228 -99.200 -91.000 TYR 226 0.840 50.985 12.262 -17.039 -99.200 -91.000 TYR 233 0.840 52.626 21.982 -18.651 -99.200 -91.000