============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. PHE 12 1.000 -7.250 34.369 15.757 -99.200 -91.000 TRP 14 1.040 -4.330 29.628 11.873 -99.200 -91.000 TRP6 14 1.020 -3.193 31.622 11.293 -99.200 -91.000 TRP 25 1.040 -23.518 17.289 9.001 -99.200 -91.000 TRP6 25 1.020 -21.500 16.146 9.388 -99.200 -91.000 HIS 27 0.900 -17.062 23.891 17.043 -99.200 -91.000 HIS 44 0.900 -9.670 15.606 23.159 -99.200 -91.000 TRP 61 1.040 -16.583 36.706 13.005 -99.200 -91.000 TRP6 61 1.020 -18.559 38.010 13.047 -99.200 -91.000 TYR 77 0.840 -10.040 9.388 12.186 -99.200 -91.000 HIS 80 0.900 2.096 10.231 18.095 -99.200 -91.000 TYR 83 0.840 -5.410 9.882 22.259 -99.200 -91.000 TYR 90 0.840 -7.214 13.297 27.920 -99.200 -91.000 HIS 98 0.900 -4.704 11.913 6.292 -99.200 -91.000 TYR 122 0.840 7.072 29.176 20.420 -99.200 -91.000 TRP 132 1.040 -16.978 29.383 16.233 -99.200 -91.000 TRP6 132 1.020 -15.321 28.925 14.582 -99.200 -91.000 TRP 170 1.040 4.161 14.615 27.662 -99.200 -91.000 TRP6 170 1.020 4.971 12.667 26.591 -99.200 -91.000 HIS 173 0.900 0.881 17.262 28.320 -99.200 -91.000 TRP 209 1.040 -4.776 17.472 29.300 -99.200 -91.000 TRP6 209 1.020 -4.328 17.917 31.583 -99.200 -91.000 TYR 221 0.840 -6.020 23.980 39.385 -99.200 -91.000 TYR 225 0.840 -4.039 25.345 23.678 -99.200 -91.000 TYR 231 0.840 3.915 15.517 19.464 -99.200 -91.000 TRP 234 1.040 3.006 11.417 13.980 -99.200 -91.000 TRP6 234 1.020 0.879 12.428 13.698 -99.200 -91.000