============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. PHE 7 1.000 10.429 38.113 39.251 -99.200 -91.000 PHE 13 1.000 4.370 30.450 44.684 -99.200 -91.000 PHE 16 1.000 -6.496 34.398 45.182 -99.200 -91.000 PHE 26 1.000 -11.049 22.600 38.636 -99.200 -91.000 PHE 36 1.000 19.487 35.605 43.168 -99.200 -91.000 HIS 38 0.900 13.500 33.631 42.819 -99.200 -91.000 PHE 41 1.000 8.397 27.594 42.166 -99.200 -91.000 HIS 44 0.900 -0.988 24.007 51.601 -99.200 -91.000 TRP 56 1.040 -5.297 17.399 44.038 -99.200 -91.000 TRP6 56 1.020 -5.156 19.774 44.235 -99.200 -91.000 HIS 61 0.900 -0.962 22.832 32.806 -99.200 -91.000 PHE 66 1.000 5.962 34.511 37.990 -99.200 -91.000 PHE 67 1.000 8.598 33.105 41.987 -99.200 -91.000 TYR 70 0.840 15.006 31.684 31.429 -99.200 -91.000 HIS 76 0.900 13.213 34.093 33.782 -99.200 -91.000 PHE 77 1.000 8.037 37.479 27.205 -99.200 -91.000 PHE 82 1.000 5.962 40.013 36.842 -99.200 -91.000 PHE 94 1.000 -3.829 16.184 29.697 -99.200 -91.000 HIS 103 0.900 -6.246 35.270 29.835 -99.200 -91.000 HIS 104 0.900 -2.019 30.116 33.369 -99.200 -91.000 TYR 106 0.840 1.146 34.309 36.086 -99.200 -91.000 PHE 124 1.000 -9.683 16.717 30.595 -99.200 -91.000 HIS 144 0.900 11.757 21.411 22.603 -99.200 -91.000 PHE 146 1.000 10.314 26.589 19.639 -99.200 -91.000 HIS 148 0.900 3.492 33.279 18.913 -99.200 -91.000 PHE 158 1.000 6.299 16.624 22.194 -99.200 -91.000 PHE 161 1.000 0.442 14.518 33.498 -99.200 -91.000 HIS 172 0.900 0.522 15.891 21.846 -99.200 -91.000 PHE 173 1.000 2.835 23.777 28.772 -99.200 -91.000 PHE 179 1.000 5.875 44.261 28.550 -99.200 -91.000 HIS 191 0.900 14.867 30.150 26.191 -99.200 -91.000 PHE 192 1.000 16.154 23.209 23.749 -99.200 -91.000 HIS 209 0.900 -2.801 18.972 51.683 -99.200 -91.000 TYR 217 0.840 17.772 22.644 34.860 -99.200 -91.000 HIS 219 0.900 18.800 22.802 28.593 -99.200 -91.000