============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. PHE 2 1.000 61.328 -32.689 -36.185 -99.200 -91.000 PHE 11 1.000 56.979 -22.645 -23.619 -99.200 -91.000 HIS 37 0.900 55.774 -2.017 -26.449 -99.200 -91.000 HIS 53 0.900 59.604 -17.354 -33.934 -99.200 -91.000 HIS 64 0.900 58.473 -7.425 -39.316 -99.200 -91.000 PHE 91 1.000 62.732 -12.915 -30.347 -99.200 -91.000 HIS 96 0.900 71.609 -8.722 -22.993 -99.200 -91.000 TYR 107 0.840 62.475 5.386 -23.447 -99.200 -91.000 PHE 113 1.000 53.118 2.433 -31.040 -99.200 -91.000 PHE 122 1.000 56.871 -1.610 -32.628 -99.200 -91.000 PHE 142 1.000 60.553 -4.830 -22.964 -99.200 -91.000 PHE 150 1.000 68.730 -23.022 -15.344 -99.200 -91.000 TYR 151 0.840 61.195 -25.320 -19.243 -99.200 -91.000 PHE 231 1.000 83.693 -23.455 -20.830 -99.200 -91.000 TYR 243 0.840 91.898 -18.035 -10.732 -99.200 -91.000 TYR 268 0.840 79.083 -23.028 -20.998 -99.200 -91.000 TYR 271 0.840 72.022 -27.300 -13.861 -99.200 -91.000 PHE 277 1.000 77.198 -29.262 -9.346 -99.200 -91.000 TYR 292 0.840 86.944 -27.986 -3.493 -99.200 -91.000 HIS 294 0.900 79.654 -34.150 -10.190 -99.200 -91.000 TYR 297 0.840 89.512 -31.503 -8.376 -99.200 -91.000