============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TRP 7 1.040 19.181 -19.733 15.971 -99.200 -91.000 TRP6 7 1.020 19.037 -20.748 13.830 -99.200 -91.000 TRP 14 1.040 9.628 -22.834 8.340 -99.200 -91.000 TRP6 14 1.020 10.729 -22.684 6.262 -99.200 -91.000 HIS 24 0.900 4.947 -19.151 1.453 -99.200 -91.000 PHE 33 1.000 13.122 -25.956 -11.407 -99.200 -91.000 HIS 36 0.900 20.122 -18.417 -11.166 -99.200 -91.000 PHE 43 1.000 15.249 -30.468 -9.454 -99.200 -91.000 PHE 46 1.000 10.004 -31.141 -10.909 -99.200 -91.000 HIS 48 0.900 7.531 -32.393 -17.424 -99.200 -91.000 HIS 64 0.900 11.745 -31.949 -5.384 -99.200 -91.000 HIS 81 0.900 22.687 -26.911 19.003 -99.200 -91.000 HIS 82 0.900 22.397 -27.089 10.780 -99.200 -91.000 HIS 93 0.900 20.130 -32.268 -2.336 -99.200 -91.000 HIS 97 0.900 19.510 -35.917 -5.643 -99.200 -91.000 TYR 103 0.840 23.412 -25.462 -10.361 -99.200 -91.000 PHE 106 1.000 22.785 -19.774 -9.183 -99.200 -91.000 HIS 113 0.900 12.068 -12.019 -6.175 -99.200 -91.000 HIS 116 0.900 11.793 -8.633 1.059 -99.200 -91.000 HIS 119 0.900 4.483 -13.942 3.336 -99.200 -91.000 PHE 123 1.000 11.887 -11.661 4.717 -99.200 -91.000 PHE 138 1.000 20.423 -25.771 3.782 -99.200 -91.000 TYR 146 0.840 27.930 -29.977 -1.846 -99.200 -91.000 PHE 151 1.000 29.434 -32.111 -6.160 -99.200 -91.000