============================================================================= 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 19 1.040 10.818 34.558 6.959 -99.200 -91.000 TRP6 19 1.020 10.751 33.447 9.042 -99.200 -91.000 TYR 20 0.840 3.071 29.865 6.626 -99.200 -91.000 TRP 21 1.040 9.080 28.550 1.661 -99.200 -91.000 TRP6 21 1.020 9.718 28.004 -0.545 -99.200 -91.000 TRP 27 1.040 9.187 13.070 0.805 -99.200 -91.000 TRP6 27 1.020 7.155 12.844 2.001 -99.200 -91.000 PHE 41 1.000 15.581 30.433 9.363 -99.200 -91.000 TYR 51 0.840 3.373 18.156 16.642 -99.200 -91.000 PHE 57 1.000 17.332 22.237 11.229 -99.200 -91.000 HIS 60 0.900 27.271 19.419 9.879 -99.200 -91.000 HIS 65 0.900 12.174 18.102 6.751 -99.200 -91.000 HIS 70 0.900 0.082 28.744 19.003 -99.200 -91.000 PHE 75 1.000 3.560 30.334 18.235 -99.200 -91.000 PHE 77 1.000 12.307 24.916 17.210 -99.200 -91.000 TYR 78 0.840 8.595 16.838 16.955 -99.200 -91.000 HIS 86 0.900 11.305 31.407 22.867 -99.200 -91.000 HIS 95 0.900 16.067 31.181 23.185 -99.200 -91.000 PHE 105 1.000 18.913 25.203 16.141 -99.200 -91.000 TYR 107 0.840 20.663 17.111 14.170 -99.200 -91.000 TYR 118 0.840 24.612 13.959 16.169 -99.200 -91.000 PHE 129 1.000 7.086 36.073 -2.252 -99.200 -91.000