============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 15 rings ring int. center anis. iso. HIS 4 0.900 24.701 45.689 165.511 -99.200 -91.000 HIS 5 0.900 27.919 38.937 167.063 -99.200 -91.000 TYR 14 0.840 28.425 28.446 156.489 -99.200 -91.000 PHE 23 1.000 19.993 35.301 151.885 -99.200 -91.000 HIS 30 0.900 29.553 38.350 161.356 -99.200 -91.000 TYR 88 0.840 32.274 34.460 145.513 -99.200 -91.000 TRP 98 1.040 34.108 49.203 141.920 -99.200 -91.000 TRP6 98 1.020 32.874 48.476 143.802 -99.200 -91.000 TRP 122 1.040 33.152 53.256 147.032 -99.200 -91.000 TRP6 122 1.020 35.355 52.406 147.022 -99.200 -91.000 HIS 132 0.900 18.558 50.148 150.249 -99.200 -91.000 HIS 134 0.900 15.009 45.541 152.793 -99.200 -91.000 PHE 147 1.000 25.030 50.053 156.992 -99.200 -91.000 PHE 154 1.000 23.554 47.423 161.473 -99.200 -91.000 HIS 168 0.900 18.069 49.626 155.209 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs =============================================================================