============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. PHE 2 1.000 50.959 29.865 -15.923 -99.200 -91.000 HIS 5 0.900 51.928 17.024 -24.133 -99.200 -91.000 HIS 31 0.900 45.774 11.116 -9.136 -99.200 -91.000 PHE 35 1.000 42.115 14.301 -13.803 -99.200 -91.000 TYR 39 0.840 42.968 18.675 -23.957 -99.200 -91.000 HIS 51 0.900 32.606 20.027 -19.206 -99.200 -91.000 PHE 52 1.000 39.917 16.442 -17.634 -99.200 -91.000 TRP 64 1.040 33.041 10.607 -3.115 -99.200 -91.000 TRP6 64 1.020 31.332 9.558 -4.354 -99.200 -91.000 PHE 79 1.000 34.614 13.972 -18.369 -99.200 -91.000 PHE 105 1.000 36.064 9.378 -24.810 -99.200 -91.000 TRP 122 1.040 24.647 0.424 -25.684 -99.200 -91.000 TRP6 122 1.020 24.409 -1.066 -27.495 -99.200 -91.000 HIS 134 0.900 24.026 -3.939 -13.311 -99.200 -91.000 TYR 138 0.840 25.910 -0.513 -8.996 -99.200 -91.000 PHE 159 1.000 20.784 1.387 -11.476 -99.200 -91.000 HIS 208 0.900 22.813 24.910 -5.926 -99.200 -91.000 TYR 222 0.840 7.750 3.572 -8.074 -99.200 -91.000 HIS 232 0.900 2.867 9.817 -18.572 -99.200 -91.000