============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. PHE 5 1.000 -13.269 6.892 30.109 -99.200 -91.000 HIS 15 0.900 -6.369 17.814 19.542 -99.200 -91.000 HIS 61 0.900 -2.292 -2.275 11.506 -99.200 -91.000 PHE 68 1.000 -7.005 3.120 0.375 -99.200 -91.000 HIS 83 0.900 -23.495 2.230 13.176 -99.200 -91.000 PHE 85 1.000 -17.034 3.701 13.753 -99.200 -91.000 PHE 88 1.000 -4.861 4.511 16.525 -99.200 -91.000 PHE 93 1.000 2.480 8.330 9.820 -99.200 -91.000 TYR 104 0.840 -1.172 12.703 9.209 -99.200 -91.000 PHE 109 1.000 -2.300 2.889 1.690 -99.200 -91.000 TRP 114 1.040 -8.359 7.810 4.918 -99.200 -91.000 TRP6 114 1.020 -7.630 6.240 6.544 -99.200 -91.000 HIS 121 0.900 6.809 2.835 16.641 -99.200 -91.000 HIS 140 0.900 -9.637 22.202 13.591 -99.200 -91.000 TYR 160 0.840 11.543 4.338 22.615 -99.200 -91.000 HIS 171 0.900 6.376 18.515 19.736 -99.200 -91.000 PHE 174 1.000 -0.459 15.967 15.045 -99.200 -91.000 PHE 178 1.000 1.698 9.682 26.457 -99.200 -91.000 PHE 190 1.000 -0.467 14.419 27.397 -99.200 -91.000 HIS 192 0.900 -2.193 7.266 29.844 -99.200 -91.000 TYR 210 0.840 -3.132 -11.303 22.526 -99.200 -91.000 TYR 244 0.840 -12.225 -9.020 24.214 -99.200 -91.000 TRP 249 1.040 -19.079 1.578 31.074 -99.200 -91.000 TRP6 249 1.020 -18.271 3.636 30.230 -99.200 -91.000 TYR 252 0.840 -14.563 5.011 33.132 -99.200 -91.000