============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. HIS 27 0.900 -6.502 8.148 -0.249 -99.200 -91.000 TYR 31 0.840 -7.752 8.594 -9.683 -99.200 -91.000 TRP 32 1.040 -13.592 0.665 -10.156 -99.200 -91.000 TRP6 32 1.020 -13.047 -1.640 -10.513 -99.200 -91.000 TYR 33 0.840 -6.331 3.338 -13.246 -99.200 -91.000 HIS 39 0.900 -1.479 -2.321 -23.590 -99.200 -91.000 HIS 45 0.900 -17.283 3.919 -14.128 -99.200 -91.000 TYR 46 0.840 -12.912 8.933 -15.141 -99.200 -91.000 TYR 48 0.840 -15.137 14.332 -9.098 -99.200 -91.000 TYR 62 0.840 -17.253 -0.852 -18.248 -99.200 -91.000 PHE 72 1.000 -17.916 3.698 -8.993 -99.200 -91.000 TYR 87 0.840 -12.917 -6.975 -14.578 -99.200 -91.000 PHE 88 1.000 -6.429 -2.588 -10.603 -99.200 -91.000 PHE 100 1.000 -2.031 4.156 -0.053 -99.200 -91.000 PHE 101 1.000 -3.960 -2.111 -5.538 -99.200 -91.000 TYR 114 0.840 -17.018 -19.849 -35.459 -99.200 -91.000 TRP 150 1.040 24.574 -13.334 -10.079 -99.200 -91.000 TRP6 150 1.020 25.581 -12.738 -12.170 -99.200 -91.000 TYR 161 0.840 10.987 9.764 -23.246 -99.200 -91.000 PHE 166 1.000 1.581 11.070 -20.979 -99.200 -91.000 TYR 168 0.840 3.320 12.647 -12.084 -99.200 -91.000 PHE 169 1.000 7.372 9.768 -17.956 -99.200 -91.000 TRP 171 1.040 9.986 4.358 -12.679 -99.200 -91.000 TRP6 171 1.020 10.905 2.214 -13.233 -99.200 -91.000 TYR 172 0.840 0.898 2.952 -9.539 -99.200 -91.000 PHE 175 1.000 7.205 -7.457 -4.397 -99.200 -91.000 PHE 198 1.000 13.108 3.644 -5.884 -99.200 -91.000 PHE 201 1.000 22.031 6.887 -12.193 -99.200 -91.000 PHE 202 1.000 16.971 11.832 -19.661 -99.200 -91.000 HIS 212 0.900 20.844 1.593 -12.134 -99.200 -91.000 TYR 224 0.840 10.581 -3.184 -9.685 -99.200 -91.000 PHE 225 1.000 2.310 -3.256 -13.831 -99.200 -91.000 PHE 232 1.000 -7.932 15.168 -11.509 -99.200 -91.000 PHE 237 1.000 0.110 2.230 -15.593 -99.200 -91.000 TYR 248 0.840 23.758 -22.315 -14.906 -99.200 -91.000