Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D3 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> L 0.33 G 0.23 R 0.19 D 0.12 C 0.04 F 0.02 Y 0.01 K 0.01 C Shift Assignments>> C :: 175.558 CA :: 53.134 CB :: 43.827 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> HA :: 6.077(S) HB2 :: 2.589 HB3 :: 2.803 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) 1.A4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 A 0.15 C 0.14 K 0.08 C Shift Assignments>> C :: 177.681 CA :: 52.266 CB :: 23.209 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.604 HA :: 5.082 HB1 :: 1.260 HB2 :: 1.260 HB3 :: 1.260 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.059 Ave N Shift Values>> N :: 123.23(3.54) 1.L5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 G 0.28 L 0.2 R 0.14 A 0.06 C Shift Assignments>> C :: 177.432 CA :: 54.614 CB :: 44.143 CG :: 26.261 CD1 :: 22.925 CD2 :: 27.341 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.204 HA :: 5.113 HB2 :: 0.922 HB3 :: 1.839 HG :: 1.498 HD11 :: 0.028 HD12 :: 0.028 HD13 :: 0.028 HD21 :: 0.111 HD22 :: 0.111 HD23 :: 0.111 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.386 Ave N Shift Values>> N :: 121.86(3.9) 1.A6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.26 K 0.12 R 0.04 A 0.01 H 0.01 Q 0.01 C Shift Assignments>> C :: 174.614 CA :: 50.550 CB :: 24.959 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.199 HA :: 5.122 HB1 :: 1.115 HB2 :: 1.115 HB3 :: 1.115 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.339 Ave N Shift Values>> N :: 123.23(3.54) 1.L7 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.49 C 0.38 R 0.11 C Shift Assignments>> C :: 174.953 CA :: 55.548 CB :: 45.106 CG :: 30.492(S) CD1 :: 26.077 CD2 :: 25.290 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.954 HA :: 4.641 HB2 :: 0.870 HB3 :: 1.258 HG :: 1.329 HD11 :: -0.077 HD12 :: -0.077 HD13 :: -0.077 HD21 :: 0.457 HD22 :: 0.457 HD23 :: 0.457 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.848 Ave N Shift Values>> N :: 121.86(3.9) 1.D8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 L 0.23 N 0.14 K 0.08 C 0.05 F 0.04 R 0.03 Y 0.03 HN Overlap>> 1.K78 1.K78 C Shift Assignments>> C :: 177.579 CA :: 52.198 CB :: 41.675 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.351 HA :: 4.574 HB2 :: 2.153 HB3 :: 3.306 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.196 Ave N Shift Values>> N :: 120.65(3.86) 1.L9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.37 A 0.03 C Shift Assignments>> C :: 177.377 CA :: 55.854 CB :: 40.839 CG :: 27.028 CD1 :: 22.729 CD2 :: 24.560 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.155 HA :: 4.394 HB2 :: 1.433 HB3 :: 2.573 HG :: 1.561 HD11 :: 0.642 HD12 :: 0.642 HD13 :: 0.642 HD21 :: 0.605 HD22 :: 0.605 HD23 :: 0.605 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 129.566 Ave N Shift Values>> N :: 121.86(3.9) 1.D10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.42 D 0.25 L 0.08 F 0.07 C 0.07 Y 0.07 HN Overlap>> 1.K138 1.K138 C Shift Assignments>> C :: 177.739 CA :: 53.228 CB :: 39.513 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.638 HA :: 4.699 HB2 :: 2.543 HB3 :: 2.858 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.999 Ave N Shift Values>> N :: 120.65(3.86) 1.G11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.1 A 0.04 L 0.04 N 0.01 C Shift Assignments>> C :: 174.338 CA :: 47.591 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.859 HA2 :: 3.635 HA3 :: 4.081 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.435 Ave N Shift Values>> N :: 109.67(3.87) 1.D12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 N 0.25 L 0.16 F 0.06 C 0.05 Y 0.04 K 0.03 C Shift Assignments>> C :: 177.493 CA :: 52.855 CB :: 40.687 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.698 HA :: 4.606 HB2 :: 2.315 HB3 :: 3.012 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.915 Ave N Shift Values>> N :: 120.65(3.86) 1.G13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 L 0.28 D 0.06 F 0.05 G 0.04 K 0.04 C 0.03 Y 0.03 I 0.01 C Shift Assignments>> C :: 173.971 CA :: 43.219 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.404 HA2 :: 3.380 HA3 :: 4.488 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.337 Ave N Shift Values>> N :: 109.67(3.87) 1.I14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.75 C 0.24 C Shift Assignments>> C :: 175.284 CA :: 63.226 CB :: 37.273 CG1 :: 29.237 CG2 :: 18.073 CD1 :: 13.552 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.800 HA :: 3.798 HB :: 1.587 HG12 :: 1.541 HG13 :: 0.587 HG21 :: 0.602 HG22 :: 0.602 HG23 :: 0.602 HD11 :: 0.637 HD12 :: 0.637 HD13 :: 0.637 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 123.466 Ave N Shift Values>> N :: 121.46(4.28) 1.E15 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> C 0.45 E 0.37 M 0.11 I 0.02 K 0.01 C Shift Assignments>> C :: 174.910 CA :: 56.693 CB :: 30.999 CG :: 37.280 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.829 HA :: 4.192 HB2 :: 2.005 HB3 :: 2.064 HG2 :: 1.999 HG3 :: 2.093 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 133.704(S) Ave N Shift Values>> N :: 120.67(3.48) 1.T16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.83 T 0.16 C Shift Assignments>> C :: 173.446 CA :: 59.390 CB :: 72.927 CG2 :: 23.275 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.187 HA :: 5.185 HB :: 4.346 HG21 :: 0.852 HG22 :: 0.852 HG23 :: 0.852 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.203 Ave N Shift Values>> N :: 115.42(4.75) 1.V17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.75 V 0.23 C Shift Assignments>> CA :: 59.677 CB :: 35.716 CG1 :: 19.751 CG2 :: 21.310 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.300 HA :: 4.488 HB :: 2.010 HG11 :: 0.829 HG12 :: 0.829 HG13 :: 0.829 HG21 :: 0.960 HG22 :: 0.960 HG23 :: 0.960 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 114.129 Ave N Shift Values>> N :: 121.14(4.54) 1.A18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 L 0.04 C 0.03 M 0.01 C Shift Assignments>> CA :: 51.700 CB :: 20.660 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.458 HA :: 4.454 HB1 :: 1.483 HB2 :: 1.483 HB3 :: 1.483 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.597 Ave N Shift Values>> N :: 123.23(3.54) 1.T19 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K20 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G21 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.F22 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S23 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G24 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S25 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L26 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.F27 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D28 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H29 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N30 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R31 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D32 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G33 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.I34 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R35 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T36 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A37 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T38 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G39 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.W40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.23 E 0.23 M 0.15 N 0.13 Y 0.06 K 0.05 F 0.04 Q 0.03 C Shift Assignments>> C :: 173.908 CA :: 54.718 CB :: 36.158 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> HA :: 5.418 HB2 :: 2.829 HB3 :: 2.917 HE3 :: 8.020 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) 1.V41 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.6 C 0.39 C Shift Assignments>> C :: 175.825 CA :: 61.426 CB :: 33.444 CG1 :: 22.148 CG2 :: 21.020 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 5.860(S) HA :: 3.972 HB :: 0.808(S) HG11 :: 0.168 HG12 :: 0.168 HG13 :: 0.168 HG21 :: 0.633 HG22 :: 0.633 HG23 :: 0.633 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.172 Ave N Shift Values>> N :: 121.14(4.54) 1.S42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.026 CA :: 58.455 CB :: 63.709 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.137 HA :: 3.976 HB2 :: 3.465 HB3 :: 3.583 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 122.791 Ave N Shift Values>> N :: 116.28(3.52) 1.A43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.7 M 0.14 C 0.06 L 0.06 V 0.01 C Shift Assignments>> C :: 176.707 CA :: 54.560 CB :: 20.058 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.302 HA :: 3.773 HB1 :: 1.443 HB2 :: 1.443 HB3 :: 1.443 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.824 Ave N Shift Values>> N :: 123.23(3.54) 1.D44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.2 K 0.18 D 0.17 F 0.16 Y 0.12 C 0.07 N 0.02 R 0.02 I 0.01 C Shift Assignments>> C :: 175.600 CA :: 56.339 CB :: 41.273 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.582 HA :: 4.004 HB2 :: 2.254 HB3 :: 2.753 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 116.129 Ave N Shift Values>> N :: 120.65(3.86) 1.D45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 D 0.21 R 0.19 G 0.08 K 0.04 C 0.04 F 0.03 N 0.02 Y 0.01 C Shift Assignments>> C :: 173.574 CA :: 52.785 CB :: 43.124 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.514 HA :: 5.040 HB2 :: 2.272 HB3 :: 3.285 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 116.547 Ave N Shift Values>> N :: 120.65(3.86) 1.G46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> C :: 171.974 CA :: 45.396 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.526 HA2 :: 3.028 HA3 :: 4.824 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 99.387 Ave N Shift Values>> N :: 109.67(3.87) 1.L47 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.4 G 0.35 C 0.2 R 0.03 C Shift Assignments>> C :: 176.129 CA :: 54.187 CB :: 44.639 CG :: 27.800 CD1 :: 25.330 CD2 :: 24.718 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.595 HA :: 4.587 HB2 :: 1.295 HB3 :: 1.397 HG :: 0.722 HD11 :: -0.623(S) HD12 :: -0.623(S) HD13 :: -0.623(S) HD21 :: 0.198 HD22 :: 0.198 HD23 :: 0.198 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.383 Ave N Shift Values>> N :: 121.86(3.9) 1.L48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.36 R 0.27 C 0.25 G 0.05 A 0.04 C Shift Assignments>> C :: 175.566 CA :: 54.593 CB :: 42.963 CG :: 26.769 CD1 :: 27.600 CD2 :: 22.982 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.196 HA :: 4.708 HB2 :: 0.742 HB3 :: 1.684 HG :: 1.440 HD11 :: 0.095 HD12 :: 0.095 HD13 :: 0.095 HD21 :: 0.686 HD22 :: 0.686 HD23 :: 0.686 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.616 Ave N Shift Values>> N :: 121.86(3.9) 1.V49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.89 V 0.07 I 0.02 C Shift Assignments>> C :: 174.106 CA :: 59.288 CB :: 36.491 CG1 :: 20.281 CG2 :: 23.644 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.000 HA :: 5.562 HB :: 2.341 HG11 :: 0.554 HG12 :: 0.554 HG13 :: 0.554 HG21 :: 1.132 HG22 :: 1.132 HG23 :: 1.132 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.045 Ave N Shift Values>> N :: 121.14(4.54) 1.R50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 G 0.44 R 0.05 HN Overlap>> 1.D99 1.D99 C Shift Assignments>> C :: 173.877 CA :: 56.066 CB :: 34.545 CG :: 26.431 CD :: 44.800 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.528 HA :: 4.398 HB2 :: 1.611 HB3 :: 1.799 HG2 :: 1.231 HG3 :: 1.562 HD2 :: 2.981 HD3 :: 3.061 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.357 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.D51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.45 D 0.24 L 0.07 C 0.07 F 0.07 Y 0.06 C Shift Assignments>> C :: 177.477 CA :: 53.039 CB :: 39.430 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.920 HA :: 4.578 HB2 :: 2.008 HB3 :: 2.682 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 123.676 Ave N Shift Values>> N :: 120.65(3.86) 1.L52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 L 0.26 R 0.16 G 0.15 A 0.02 C Shift Assignments>> C :: 178.163 CA :: 56.827 CB :: 43.731 CG :: 26.665 CD1 :: 22.341 CD2 :: 26.553 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.302 HA :: 4.162 HB2 :: 1.491 HB3 :: 1.778 HG :: 1.649 HD11 :: 0.782 HD12 :: 0.782 HD13 :: 0.782 HD21 :: 0.920 HD22 :: 0.920 HD23 :: 0.920 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 127.203 Ave N Shift Values>> N :: 121.86(3.9) 1.N53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.63 C 0.17 M 0.04 Y 0.03 D 0.03 E 0.03 F 0.02 C Shift Assignments>> C :: 176.908 CA :: 51.617 CB :: 37.023 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.783 HA :: 4.789 HB2 :: 2.780 HB3 :: 3.277 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 113.036 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 C 0.08 L 0.04 A 0.02 C Shift Assignments>> C :: 174.431 CA :: 47.402 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.525 HA2 :: 3.714 HA3 :: 3.823 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.235 Ave N Shift Values>> N :: 109.67(3.87) 1.N55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.66 C 0.12 D 0.07 Y 0.04 F 0.03 M 0.02 E 0.01 L 0.01 C Shift Assignments>> C :: 176.484 CA :: 52.122 CB :: 37.789 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.739 HA :: 4.617 HB2 :: 2.633 HB3 :: 3.193 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.216 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> C :: 172.500 CA :: 45.414 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 10.196 HA2 :: 3.291 HA3 :: 3.942 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.518 Ave N Shift Values>> N :: 109.67(3.87) 1.I57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 I 0.39 A 0.02 G 0.01 C Shift Assignments>> C :: 174.029 CA :: 58.390 CB :: 42.077 CG1 :: 26.615 CG2 :: 18.061 CD1 :: 13.548 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.244 HA :: 3.990 HB :: 1.402 HG12 :: 1.101 HG13 :: 0.612 HG21 :: 0.602 HG22 :: 0.602 HG23 :: 0.602 HD11 :: 0.643 HD12 :: 0.643 HD13 :: 0.643 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 114.492 Ave N Shift Values>> N :: 121.46(4.28) 1.I58 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.87 A 0.12 C Shift Assignments>> C :: 176.148 CA :: 56.732 CB :: 33.024 CG2 :: 17.269 CD1 :: 7.021(S) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.361 HA :: 4.928 HB :: 1.382 HG13 :: 0.752 HG21 :: 0.996 HG22 :: 0.996 HG23 :: 0.996 HD11 :: 0.369 HD12 :: 0.369 HD13 :: 0.369 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 127.768 Ave N Shift Values>> N :: 121.46(4.28) 1.D59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.37 R 0.21 L 0.15 C 0.1 F 0.08 Y 0.04 D 0.01 HN Overlap>> 1.D110 1.D110 C Shift Assignments>> CA :: 58.604 CB :: 44.398 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.765 HA :: 4.050 HB2 :: 2.124 HB3 :: 2.469 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 124.900 Ave N Shift Values>> N :: 120.65(3.86) 1.N60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.6 D 0.14 C 0.09 Y 0.05 F 0.05 L 0.03 C Shift Assignments>> CA :: 52.531 CB :: 38.560 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.208 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 106.883 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G61 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 174.078 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) 1.A62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.63 M 0.31 C 0.02 I 0.01 HN Overlap>> 1.I130 1.I130 C Shift Assignments>> C :: 179.640 CA :: 54.237 CB :: 18.668 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.192 HA :: 4.560 HB1 :: 1.582 HB2 :: 1.582 HB3 :: 1.582 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.250 Ave N Shift Values>> N :: 123.23(3.54) 1.E63 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.67 E 0.2 M 0.07 I 0.04 C Shift Assignments>> C :: 175.482 CA :: 56.589 CB :: 31.071 CG :: 38.349 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.728 HA :: 4.528 HB2 :: 2.019 HB3 :: 2.941(S) HG2 :: 2.384 HG3 :: 2.596 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 114.377 Ave N Shift Values>> N :: 120.67(3.48) 1.L64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 C 0.26 R 0.24 G 0.03 C Shift Assignments>> C :: 176.279 CA :: 53.662 CB :: 42.624 CG :: 27.918 CD1 :: 26.189 CD2 :: 26.189 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 6.691 HA :: 4.918 HB2 :: 1.876 HB3 :: 2.016 HG :: 1.883 HD11 :: 0.957 HD12 :: 0.957 HD13 :: 0.957 HD21 :: 0.957 HD22 :: 0.957 HD23 :: 0.957 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 115.958 Ave N Shift Values>> N :: 121.86(3.9) 1.F65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 Y 0.28 C 0.13 I 0.11 L 0.06 D 0.05 K 0.02 C Shift Assignments>> C :: 173.352 CA :: 58.439 CB :: 40.202 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.434 HA :: 4.507 HB2 :: 2.760 HB3 :: 2.760 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.055 Ave N Shift Values>> N :: 120.45(4.18) 1.G66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.04 C Shift Assignments>> C :: 173.066 CA :: 46.586 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.785 HA2 :: 3.801 HA3 :: 4.269 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.221 Ave N Shift Values>> N :: 109.67(3.87) 1.D67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.37 D 0.19 Y 0.11 F 0.11 C 0.1 L 0.06 C Shift Assignments>> CA :: 54.176 CB :: 38.985 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.661 HA :: 4.857 HB2 :: 2.561 HB3 :: 2.958 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 115.417 Ave N Shift Values>> N :: 120.65(3.86) 1.N68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.26 K 0.14 F 0.07 N 0.06 R 0.05 Y 0.04 C 0.04 C Shift Assignments>> C :: 172.895 CA :: 53.922 CB :: 41.787 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.831 HA :: 4.583 HB2 :: 2.548 HB3 :: 2.654 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 114.868 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.78 C 0.21 C Shift Assignments>> C :: 173.272 CA :: 64.326 CB :: 68.679 CG2 :: 23.548 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.668 HA :: 4.147 HB :: 4.024 HG21 :: 1.234 HG22 :: 1.234 HG23 :: 1.234 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.544 Ave N Shift Values>> N :: 115.42(4.75) 1.K70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.5 C 0.42 R 0.05 C Shift Assignments>> C :: 176.682 CA :: 56.395 CB :: 33.542 CG :: 24.699 CD :: 29.237 CE :: 41.798 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.675 HA :: 4.002 HB2 :: 1.411 HB3 :: 1.515 HG2 :: 0.811 HG3 :: 1.049 HD2 :: 1.333 HD3 :: 1.383 HE2 :: 2.638 HE3 :: 2.700 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 128.378 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.24 A 0.17 R 0.04 C Shift Assignments>> C :: 179.723 CA :: 53.703 CB :: 41.822 CG :: 26.917 CD1 :: 22.364 CD2 :: 25.764 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.913 HA :: 4.501 HB2 :: 1.618 HB3 :: 1.752 HG :: 1.409 HD11 :: 0.698 HD12 :: 0.698 HD13 :: 0.698 HD21 :: 0.738 HD22 :: 0.738 HD23 :: 0.738 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.095 Ave N Shift Values>> N :: 121.86(3.9) 1.A72 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.55 A 0.36 I 0.03 C 0.02 C Shift Assignments>> C :: 178.970 CA :: 55.223 CB :: 18.055 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 10.237(S) HA :: 3.978 HB1 :: 1.393 HB2 :: 1.393 HB3 :: 1.393 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.363 Ave N Shift Values>> N :: 123.23(3.54) 1.D73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.38 D 0.27 L 0.09 F 0.08 C 0.07 Y 0.07 C Shift Assignments>> C :: 177.418 CA :: 53.376 CB :: 39.626 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.812 HA :: 4.385 HB2 :: 2.525 HB3 :: 2.998 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 113.985 Ave N Shift Values>> N :: 120.65(3.86) 1.G74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.13 C 0.03 R 0.02 F 0.01 HN Overlap>> 1.S132 1.S132 C Shift Assignments>> C :: 173.680 CA :: 45.074 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.126 HA2 :: 3.300 HA3 :: 4.239 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.996 Ave N Shift Values>> N :: 109.67(3.87) 1.S75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.806 CA :: 57.947 CB :: 64.149 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.076 HA :: 4.269 HB2 :: 3.751 HB3 :: 3.929 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.862 Ave N Shift Values>> N :: 116.28(3.52) 1.F76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.45 Y 0.34 C 0.2 C Shift Assignments>> C :: 176.545 CA :: 58.419 CB :: 40.261 CD1 :: 131.084 CD2 :: 131.084 CE1 :: 131.659 CE2 :: 131.659 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.352 HA :: 4.733 HB2 :: 2.677 HB3 :: 3.047 HD1 :: 6.987 HD2 :: 6.987 HE1 :: 7.195 HE2 :: 7.195 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 116.328 Ave N Shift Values>> N :: 120.45(4.18) 1.A77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.91 M 0.04 C 0.02 L 0.01 C Shift Assignments>> C :: 177.583 CA :: 52.002 CB :: 19.838 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.556 HA :: 3.974 HB1 :: 1.479 HB2 :: 1.479 HB3 :: 1.479 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.144 Ave N Shift Values>> N :: 123.23(3.54) 1.K78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.43 R 0.11 HN Overlap>> 1.V140 1.D8 1.V140 1.D8 C Shift Assignments>> C :: 175.917 CA :: 57.833 CB :: 32.943 CG :: 24.631 CD :: 28.923 CE :: 42.072 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.300 HA :: 3.993 HB2 :: 1.454 HB3 :: 1.552 HG2 :: 1.272 HG3 :: 1.312 HD2 :: 1.601 HD3 :: 1.601 HE2 :: 2.947 HE3 :: 2.947 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.255 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.H79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.17 H 0.16 R 0.15 C 0.14 W 0.1 K 0.09 Q 0.08 E 0.07 C Shift Assignments>> CA :: 53.874 CB :: 31.243 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.067 HA :: 4.423 HB2 :: 3.131 HB3 :: 3.556 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 107.330 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G80 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Y81 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.52 A 0.42 I 0.02 C 0.02 C Shift Assignments>> C :: 179.870 CA :: 54.742 CB :: 17.859 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> HA :: 4.259 HB1 :: 1.283 HB2 :: 1.283 HB3 :: 1.283 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 1.A83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.55 M 0.39 C 0.02 I 0.01 C Shift Assignments>> C :: 179.495 CA :: 54.530 CB :: 18.455 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.317 HA :: 4.082 HB1 :: 1.663 HB2 :: 1.663 HB3 :: 1.663 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.335 Ave N Shift Values>> N :: 123.23(3.54) 1.L84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.43 R 0.02 A 0.01 C Shift Assignments>> C :: 178.115 CA :: 57.020 CB :: 41.878 CG :: 26.091 CD1 :: 22.518 CD2 :: 25.555 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.176 HA :: 4.009 HB2 :: 1.006 HB3 :: 1.645 HG :: 1.391 HD11 :: 0.145 HD12 :: 0.145 HD13 :: 0.145 HD21 :: 0.369 HD22 :: 0.369 HD23 :: 0.369 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.863 Ave N Shift Values>> N :: 121.86(3.9) 1.A85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 A 0.45 I 0.02 C 0.02 C Shift Assignments>> C :: 180.023 CA :: 54.724 CB :: 18.016 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.215 HA :: 4.067 HB1 :: 1.639 HB2 :: 1.639 HB3 :: 1.639 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.590 Ave N Shift Values>> N :: 123.23(3.54) 1.E86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 E 0.29 I 0.19 K 0.02 M 0.01 C Shift Assignments>> C :: 176.982 CA :: 58.320 CB :: 29.685 CG :: 37.683 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 6.999 HA :: 4.149 HB2 :: 2.107 HB3 :: 2.135 HG2 :: 2.371 HG3 :: 2.474 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 115.380 Ave N Shift Values>> N :: 120.67(3.48) 1.L87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 L 0.37 A 0.07 C Shift Assignments>> C :: 176.383 CA :: 54.974 CB :: 39.895 CG :: 28.021 CD1 :: 22.929 CD2 :: 26.193 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.008 HA :: 4.290 HB2 :: 1.712 HB3 :: 1.984 HG :: 1.895 HD11 :: 0.813 HD12 :: 0.813 HD13 :: 0.813 HD21 :: 1.005 HD22 :: 1.005 HD23 :: 1.005 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.398 Ave N Shift Values>> N :: 121.86(3.9) 1.D88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.37 D 0.27 L 0.09 F 0.08 Y 0.07 C 0.07 C Shift Assignments>> C :: 176.548 CA :: 53.402 CB :: 39.676 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.277 HA :: 4.771 HB2 :: 2.341 HB3 :: 2.990 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.179 Ave N Shift Values>> N :: 120.65(3.86) 1.S89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.537 CA :: 60.702 CB :: 64.122 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.002 HA :: 4.350 HB2 :: 4.084 HB3 :: 4.196 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 124.249 Ave N Shift Values>> N :: 116.28(3.52) 1.N90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.68 C 0.14 D 0.05 Y 0.03 F 0.03 M 0.02 E 0.01 C Shift Assignments>> C :: 176.952 CA :: 51.568 CB :: 37.469 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.871 HA :: 4.845 HB2 :: 2.773 HB3 :: 3.203 HD21 :: 7.130 HD22 :: 7.788 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.718 ND2 :: 112.194 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.7 C 0.12 A 0.08 L 0.03 N 0.02 C Shift Assignments>> C :: 174.368 CA :: 47.863 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.396 HA2 :: 3.829 HA3 :: 3.829 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.688 Ave N Shift Values>> N :: 109.67(3.87) 1.D92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.36 D 0.31 L 0.11 F 0.07 C 0.06 Y 0.06 C Shift Assignments>> C :: 176.663 CA :: 53.060 CB :: 39.987 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.003 HA :: 4.550 HB2 :: 2.327 HB3 :: 2.979 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.870 Ave N Shift Values>> N :: 120.65(3.86) 1.N93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.41 N 0.35 C 0.22 C Shift Assignments>> C :: 173.407 CA :: 55.092 CB :: 38.937 CG :: 178.381 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 10.106 HA :: 4.130 HB2 :: 2.742 HB3 :: 3.097 HD21 :: 6.652 HD22 :: 7.518 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.925 ND2 :: 112.034 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 I 0.32 G 0.07 C Shift Assignments>> C :: 174.722 CA :: 59.506 CB :: 42.910 CG1 :: 26.341 CG2 :: 18.245 CD1 :: 13.566 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.705 HA :: 4.796 HB :: 1.603 HG12 :: 1.168 HG13 :: 0.880 HG21 :: 0.837 HG22 :: 0.837 HG23 :: 0.837 HD11 :: 0.693 HD12 :: 0.693 HD13 :: 0.693 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 113.265 Ave N Shift Values>> N :: 121.46(4.28) 1.I95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.85 A 0.1 I 0.03 C Shift Assignments>> C :: 174.917 CA :: 56.838 CB :: 35.858 CG1 :: 26.040 CG2 :: 16.976 CD1 :: 9.353 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.352 HA :: 5.301 HB :: 2.138 HG12 :: 1.388 HG13 :: 1.006 HG21 :: 0.910 HG22 :: 0.910 HG23 :: 0.910 HD11 :: 0.618 HD12 :: 0.618 HD13 :: 0.618 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 126.686 Ave N Shift Values>> N :: 121.46(4.28) 1.N96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.59 D 0.2 C 0.07 L 0.04 F 0.04 Y 0.03 C Shift Assignments>> C :: 174.545 CA :: 51.579 CB :: 39.273 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.811 HA :: 4.288 HB2 :: 2.604 HB3 :: 3.078 HD21 :: 7.309 HD22 :: 7.727 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 128.069 ND2 :: 113.145 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.52 M 0.43 C 0.01 I 0.01 C Shift Assignments>> C :: 177.643 CA :: 54.122 CB :: 17.830 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.579 HA :: 3.393 HB1 :: 1.051 HB2 :: 1.051 HB3 :: 1.051 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 115.517 Ave N Shift Values>> N :: 123.23(3.54) 1.A98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 M 0.23 C 0.01 C Shift Assignments>> C :: 178.367 CA :: 53.047 CB :: 18.313 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.465 HA :: 4.116 HB1 :: 1.284 HB2 :: 1.284 HB3 :: 1.284 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.920 Ave N Shift Values>> N :: 123.23(3.54) 1.D99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.22 K 0.12 F 0.1 N 0.08 Y 0.08 C 0.05 R 0.01 HN Overlap>> 1.R50 1.R50 C Shift Assignments>> C :: 176.900 CA :: 54.699 CB :: 41.183 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.518 HA :: 4.902 HB2 :: 3.111 HB3 :: 3.238 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.252 Ave N Shift Values>> N :: 120.65(3.86) 1.A100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.37 I 0.04 C 0.03 C Shift Assignments>> C :: 179.927 CA :: 55.538 CB :: 18.478 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.466 HA :: 4.123 HB1 :: 1.494 HB2 :: 1.494 HB3 :: 1.494 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.839 Ave N Shift Values>> N :: 123.23(3.54) 1.A101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 L 0.04 C 0.03 M 0.03 C Shift Assignments>> C :: 179.691 CA :: 52.402 CB :: 20.425 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.526 HA :: 4.559 HB1 :: 1.481 HB2 :: 1.481 HB3 :: 1.481 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 116.554 Ave N Shift Values>> N :: 123.23(3.54) 1.F102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.55 Y 0.29 C 0.15 C Shift Assignments>> C :: 177.568 CA :: 63.382 CB :: 40.592 CD1 :: 131.572 CD2 :: 131.572 CE1 :: 131.458 CE2 :: 131.458 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.021 HA :: 3.718 HB2 :: 3.064 HB3 :: 3.385 HD1 :: 6.861 HD2 :: 6.861 HE1 :: 7.085 HE2 :: 7.085 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 122.071 Ave N Shift Values>> N :: 120.45(4.18) 1.Q103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 Q 0.45 E 0.08 C Shift Assignments>> C :: 176.050 CA :: 57.692 CB :: 28.083 CG :: 33.874 CD :: 180.239 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.588 HA :: 4.177 HB2 :: 2.171 HB3 :: 2.301 HG2 :: 2.622 HG3 :: 2.622 HE21 :: 7.037 HE22 :: 7.734 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 113.138 NE2 :: 111.903 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.029 CA :: 59.308 CB :: 64.561 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.947 HA :: 4.434 HB2 :: 3.970 HB3 :: 4.076 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.514 Ave N Shift Values>> N :: 116.28(3.52) 1.L105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 C 0.23 R 0.05 A 0.03 G 0.02 C Shift Assignments>> C :: 177.975 CA :: 54.887 CB :: 42.487 CG :: 26.448 CD1 :: 25.645 CD2 :: 23.094 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.111 HA :: 4.643 HB2 :: 0.974 HB3 :: 1.669 HG :: 1.755 HD11 :: 0.547 HD12 :: 0.547 HD13 :: 0.547 HD21 :: 0.649 HD22 :: 0.649 HD23 :: 0.649 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.354 Ave N Shift Values>> N :: 121.86(3.9) 1.R106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 R 0.26 G 0.14 K 0.13 HN Overlap>> 1.I116 1.I116 C Shift Assignments>> C :: 173.773 CA :: 52.877 CB :: 34.213 CG :: 26.684 CD :: 43.037 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.835 HA :: 4.748 HB2 :: 1.442 HB3 :: 1.442 HG2 :: 1.373 HG3 :: 1.493 HD2 :: 2.598 HD3 :: 3.156 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.210 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.V107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.53 C 0.46 C Shift Assignments>> C :: 174.350 CA :: 60.781 CB :: 33.830 CG1 :: 22.396 CG2 :: 21.803 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.025 HA :: 4.736 HB :: 1.583 HG11 :: 0.482 HG12 :: 0.482 HG13 :: 0.482 HG21 :: 0.571 HG22 :: 0.571 HG23 :: 0.571 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.196 Ave N Shift Values>> N :: 121.14(4.54) 1.W108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.25 C 0.19 H 0.13 R 0.12 K 0.11 W 0.07 Q 0.05 E 0.03 C Shift Assignments>> C :: 174.395 CA :: 52.716 CB :: 32.120 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 9.515 HA :: 5.608 HB2 :: 2.615 HB3 :: 3.207 HE1 :: 10.035 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 129.362 NE1 :: 125.723 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.Q109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.32 C 0.25 Q 0.22 E 0.13 K 0.05 C Shift Assignments>> C :: 174.256 CA :: 54.276 CB :: 31.039 CG :: 34.628 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.748 HA :: 4.579 HB2 :: 1.702 HB3 :: 2.126 HG2 :: 1.996 HG3 :: 2.194 HE21 :: 6.418 HE22 :: 7.282 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 127.760 NE2 :: 110.364 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D110 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.6 C 0.13 D 0.07 Y 0.05 F 0.04 E 0.02 M 0.02 L 0.01 HN Overlap>> 1.D59 1.D59 C Shift Assignments>> C :: 178.057 CA :: 52.694 CB :: 37.683 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.820 HA :: 4.957 HB2 :: 1.401(S) HB3 :: 2.584 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 124.834 Ave N Shift Values>> N :: 120.65(3.86) 1.L111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 C 0.44 R 0.07 G 0.02 C Shift Assignments>> C :: 177.669 CA :: 57.981 CB :: 42.490 CG :: 26.795 CD1 :: 22.802 CD2 :: 25.428 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.203 HA :: 3.973 HB2 :: 1.520 HB3 :: 1.950 HG :: 1.946 HD11 :: 0.870 HD12 :: 0.870 HD13 :: 0.870 HD21 :: 0.977 HD22 :: 0.977 HD23 :: 0.977 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 127.562 Ave N Shift Values>> N :: 121.86(3.9) 1.N112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.62 C 0.18 M 0.05 E 0.03 Y 0.03 D 0.02 F 0.02 C Shift Assignments>> C :: 174.712 CA :: 51.543 CB :: 36.912 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.857 HA :: 4.846 HB2 :: 2.705 HB3 :: 3.274 HD21 :: 6.305 HD22 :: 7.865 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 111.638 ND2 :: 111.992 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 Q 0.26 K 0.14 E 0.12 R 0.07 I 0.03 C Shift Assignments>> C :: 173.501 CA :: 56.754 CB :: 27.358 CG :: 34.772 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.934 HA :: 3.761 HB2 :: 2.042 HB3 :: 2.277 HG2 :: 2.272 HG3 :: 2.272 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 113.329 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 L 0.22 N 0.14 K 0.09 F 0.05 C 0.05 Y 0.03 R 0.02 C Shift Assignments>> C :: 178.602 CA :: 52.865 CB :: 41.482 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.018 HA :: 4.618 HB2 :: 2.445 HB3 :: 2.952 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 114.184 Ave N Shift Values>> N :: 120.65(3.86) 1.G115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 173.847 CA :: 46.162 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 10.425 HA2 :: 3.229 HA3 :: 4.342 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.120 Ave N Shift Values>> N :: 109.67(3.87) 1.I116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.58 C 0.41 HN Overlap>> 1.R106 1.R106 C Shift Assignments>> C :: 176.890 CA :: 59.214 CB :: 39.727 CG1 :: 27.271 CG2 :: 17.158 CD1 :: 13.016 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.735 HA :: 4.577 HB :: 1.850 HG12 :: 1.427 HG13 :: 0.825 HG21 :: 0.694 HG22 :: 0.694 HG23 :: 0.694 HD11 :: 0.724 HD12 :: 0.724 HD13 :: 0.724 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.235 Ave N Shift Values>> N :: 121.46(4.28) 1.S117 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Suspicious PRTL>> S 0.95 C 0.04 C Shift Assignments>> C :: 176.604 CA :: 53.093 CB :: 62.974 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.635 HA :: 4.516 HB2 :: 1.494(A) HB3 :: 2.833(S) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 128.490(S) Ave N Shift Values>> N :: 116.28(3.52) 1.Q118 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.41 E 0.18 Q 0.15 K 0.1 I 0.1 R 0.03 C Shift Assignments>> C :: 177.433 CA :: 58.426 CB :: 27.479 CG :: 35.243 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.774 HA :: 4.274 HB2 :: 2.152 HB3 :: 2.152 HG2 :: 2.339 HG3 :: 2.823 HE21 :: 7.701 HE22 :: 8.894(S) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 128.426 NE2 :: 114.864 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.27 I 0.07 C 0.04 V 0.01 C Shift Assignments>> C :: 179.586 CA :: 56.055 CB :: 18.471 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.588 HA :: 3.938 HB1 :: 1.426 HB2 :: 1.426 HB3 :: 1.426 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.057 Ave N Shift Values>> N :: 123.23(3.54) 1.N120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.25 C 0.22 E 0.18 M 0.1 Y 0.09 F 0.06 K 0.02 D 0.02 I 0.01 C Shift Assignments>> C :: 175.167 CA :: 54.432 CB :: 36.758 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.491 HA :: 4.585 HB2 :: 2.730 HB3 :: 3.015 HD21 :: 6.938 HD22 :: 7.645 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 111.485 ND2 :: 112.692 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E121 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.53 E 0.32 I 0.07 M 0.04 K 0.01 C Shift Assignments>> C :: 175.314 CA :: 56.564 CB :: 30.227 CG :: 37.882 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.970 HA :: 4.381 HB2 :: 2.476 HB3 :: 3.325(S) HG2 :: 2.362 HG3 :: 2.663 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.517 Ave N Shift Values>> N :: 120.67(3.48) 1.L122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 G 0.18 C 0.16 R 0.02 A 0.01 C Shift Assignments>> C :: 176.435 CA :: 53.568 CB :: 43.817 CG :: 26.733 CD1 :: 23.910 CD2 :: 25.091 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 6.965 HA :: 5.100 HB2 :: 0.914 HB3 :: 1.881 HG :: 1.352 HD11 :: 0.447 HD12 :: 0.447 HD13 :: 0.447 HD21 :: 0.556 HD22 :: 0.556 HD23 :: 0.556 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.340 Ave N Shift Values>> N :: 121.86(3.9) 1.R123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 R 0.34 G 0.13 K 0.11 C Shift Assignments>> C :: 176.507 CA :: 54.138 CB :: 33.706 CG :: 27.543 CD :: 43.443 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.907 HA :: 4.917 HB2 :: 1.655 HB3 :: 1.874 HG2 :: 1.660 HG3 :: 1.757 HD2 :: 3.086 HD3 :: 3.133 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.804 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.T124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 C Shift Assignments>> C :: 174.237 CA :: 61.181 CB :: 69.966 CG2 :: 21.493 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.372 HA :: 4.330 HB :: 4.809 HG21 :: 1.228 HG22 :: 1.228 HG23 :: 1.228 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.462 Ave N Shift Values>> N :: 115.42(4.75) 1.L125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.97 L 0.02 C Shift Assignments>> C :: 179.675 CA :: 59.434 CB :: 38.184 CG :: 29.308 CD1 :: 25.498 CD2 :: 24.243 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.754 HA :: 3.723 HB2 :: 1.261 HB3 :: 1.413 HG :: 1.246 HD11 :: 0.248 HD12 :: 0.248 HD13 :: 0.248 HD21 :: 0.308 HD22 :: 0.308 HD23 :: 0.308 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.707 Ave N Shift Values>> N :: 121.86(3.9) 1.E126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.31 I 0.21 K 0.04 Q 0.01 M 0.01 C Shift Assignments>> C :: 181.001 CA :: 59.727 CB :: 29.477 CG :: 36.596 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.562 HA :: 4.111 HB2 :: 1.954 HB3 :: 2.130 HG2 :: 2.311 HG3 :: 2.404 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.338 Ave N Shift Values>> N :: 120.67(3.48) 1.E127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.33 I 0.19 K 0.03 M 0.01 C Shift Assignments>> C :: 178.022 CA :: 58.896 CB :: 29.492 CG :: 37.059 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.100 HA :: 4.087 HB2 :: 1.916 HB3 :: 2.349 HG2 :: 2.192 HG3 :: 2.541 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.431 Ave N Shift Values>> N :: 120.67(3.48) 1.L128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 C 0.21 R 0.17 G 0.08 A 0.06 C Shift Assignments>> C :: 176.740 CA :: 54.256 CB :: 43.312 CG :: 27.093 CD1 :: 26.774 CD2 :: 22.755 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.014 HA :: 4.344 HB2 :: 1.600 HB3 :: 1.600 HG :: 1.593 HD11 :: 0.657 HD12 :: 0.657 HD13 :: 0.657 HD21 :: 0.843 HD22 :: 0.843 HD23 :: 0.843 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.946 Ave N Shift Values>> N :: 121.86(3.9) 1.G129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 C 0.05 L 0.05 C Shift Assignments>> C :: 174.712 CA :: 46.933 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.896 HA2 :: 3.871 HA3 :: 3.986 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.078 Ave N Shift Values>> N :: 109.67(3.87) 1.I130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.8 C 0.19 HN Overlap>> 1.A62 1.A62 C Shift Assignments>> C :: 173.729 CA :: 63.224 CB :: 38.256 CG1 :: 27.598 CG2 :: 16.963 CD1 :: 14.209 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.180 HA :: 3.976 HB :: 1.594 HG12 :: 1.502 HG13 :: 0.819 HG21 :: 0.679 HG22 :: 0.679 HG23 :: 0.679 HD11 :: 0.280 HD12 :: 0.280 HD13 :: 0.280 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.306 Ave N Shift Values>> N :: 121.46(4.28) 1.Q131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 Q 0.29 E 0.1 C Shift Assignments>> C :: 175.087 CA :: 56.770 CB :: 32.448 CG :: 34.511 CD :: 179.500 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.229 HA :: 4.361 HB2 :: 1.642 HB3 :: 1.757 HG2 :: 2.064 HG3 :: 2.199 HE21 :: 6.824 HE22 :: 7.520 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 127.877 NE2 :: 111.290 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.96 T 0.03 HN Overlap>> 1.G74 1.G74 C Shift Assignments>> C :: 172.163 CA :: 57.084 CB :: 65.939 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.203 HA :: 5.394 HB2 :: 3.696 HB3 :: 3.881 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 109.049 Ave N Shift Values>> N :: 116.28(3.52) 1.L133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 R 0.22 C 0.22 G 0.08 C Shift Assignments>> C :: 175.307 CA :: 53.945 CB :: 43.213 CG :: 27.306 CD1 :: 27.205 CD2 :: 24.703 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.172 HA :: 4.829 HB2 :: 1.371 HB3 :: 1.616 HG :: 1.569 HD11 :: 0.625 HD12 :: 0.625 HD13 :: 0.625 HD21 :: 0.679 HD22 :: 0.679 HD23 :: 0.679 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.755 Ave N Shift Values>> N :: 121.86(3.9) 1.D134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 L 0.24 K 0.16 F 0.1 Y 0.07 C 0.05 N 0.05 R 0.03 C Shift Assignments>> C :: 177.347 CA :: 54.981 CB :: 41.477 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.072 HA :: 4.803 HB2 :: 2.863 HB3 :: 2.958 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 124.080 Ave N Shift Values>> N :: 120.65(3.86) 1.L135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.39 A 0.06 R 0.02 C Shift Assignments>> C :: 177.023 CA :: 55.221 CB :: 40.988 CG :: 27.221 CD1 :: 22.731 CD2 :: 26.156 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.726 HA :: 4.588 HB2 :: 1.560 HB3 :: 1.695 HG :: 1.351 HD11 :: 0.827 HD12 :: 0.827 HD13 :: 0.827 HD21 :: 0.889 HD22 :: 0.889 HD23 :: 0.889 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.498 Ave N Shift Values>> N :: 121.86(3.9) 1.A136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.11 C 0.01 C Shift Assignments>> C :: 176.883 CA :: 51.986 CB :: 18.662 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.060 HA :: 4.159 HB1 :: 1.224 HB2 :: 1.224 HB3 :: 1.224 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.533 Ave N Shift Values>> N :: 123.23(3.54) 1.Y137 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.65 C 0.34 C Shift Assignments>> C :: 173.819 CA :: 55.820 CB :: 40.265 CD1 :: 134.123 CD2 :: 134.123 CE1 :: 117.646 CE2 :: 117.646 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.363 HA :: 4.788 HB2 :: 1.646(S) HB3 :: 2.040 HD1 :: 6.194 HD2 :: 6.194 HE1 :: 6.661 HE2 :: 6.661 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 117.854 Ave N Shift Values>> N :: 120.52(4.2) 1.K138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.4 R 0.08 G 0.01 HN Overlap>> 1.D10 1.D10 C Shift Assignments>> C :: 176.499 CA :: 54.001 CB :: 35.828 CG :: 24.637 CD :: 28.952 CE :: 42.110 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.626 HA :: 4.617 HB2 :: 1.622 HB3 :: 1.708 HG2 :: 1.321 HG3 :: 1.376 HD2 :: 1.587 HD3 :: 1.587 HE2 :: 2.889 HE3 :: 2.889 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.011 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.23 L 0.21 F 0.14 K 0.13 Y 0.11 C 0.06 N 0.05 R 0.01 I 0.01 C Shift Assignments>> C :: 175.651 CA :: 55.642 CB :: 41.090 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.995 HA :: 4.893 HB2 :: 2.590 HB3 :: 2.590 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 125.913 Ave N Shift Values>> N :: 120.65(3.86) 1.V140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.56 C 0.43 HN Overlap>> 1.K78 1.K78 C Shift Assignments>> C :: 175.090 CA :: 62.267 CB :: 34.052 CG1 :: 19.817 CG2 :: 22.436 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.267 HA :: 4.424 HB :: 2.032 HG11 :: 0.836 HG12 :: 0.836 HG13 :: 0.836 HG21 :: 0.880 HG22 :: 0.880 HG23 :: 0.880 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.329 Ave N Shift Values>> N :: 121.14(4.54) 1.N141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.34 C 0.17 Y 0.13 F 0.11 D 0.07 E 0.07 M 0.03 L 0.02 I 0.01 C Shift Assignments>> C :: 174.034 CA :: 54.653 CB :: 37.808 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.374 HA :: 4.187 HB2 :: 2.662 HB3 :: 2.789 HD21 :: 6.792 HD22 :: 7.538 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.583 ND2 :: 112.296 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.23 C 0.2 Q 0.2 K 0.14 E 0.09 H 0.03 R 0.02 Y 0.01 W 0.01 N 0.01 C Shift Assignments>> C :: 175.223 CA :: 55.118 CB :: 34.627 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.515 HA :: 4.403 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.878 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.42 C 0.13 D 0.12 Y 0.11 F 0.1 L 0.03 E 0.02 M 0.01 C Shift Assignments>> C :: 176.551 CA :: 54.181 CB :: 38.346 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.009 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 127.631 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 C 0.36 A 0.17 C Shift Assignments>> C :: 178.317 CA :: 55.306 CB :: 39.885 CG :: 26.696 CD1 :: 25.752 CD2 :: 21.608 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.345 HA :: 4.386 HB2 :: 1.621 HB3 :: 1.621 HG :: 1.652 HD11 :: 0.705 HD12 :: 0.705 HD13 :: 0.705 HD21 :: 0.766 HD22 :: 0.766 HD23 :: 0.766 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 126.441 Ave N Shift Values>> N :: 121.86(3.9) 1.G145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.07 C 0.03 C Shift Assignments>> CA :: 45.934 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.679 HA2 :: 3.682 HA3 :: 4.134 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.743 Ave N Shift Values>> N :: 109.67(3.87) 1.N146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> I 0.26 N 0.25 Y 0.19 F 0.13 C 0.08 D 0.03 E 0.01 L 0.01 C Shift Assignments>> C :: 175.091 CB :: 38.492 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) 1.G147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 L 0.14 C 0.03 R 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 174.175 CA :: 44.999 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.695 HA2 :: 3.574 HA3 :: 4.246 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.074 Ave N Shift Values>> N :: 109.67(3.87) 1.N148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 N 0.3 L 0.14 C 0.05 F 0.05 Y 0.03 K 0.02 C Shift Assignments>> C :: 174.063 CA :: 52.138 CB :: 40.706 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.752 HA :: 5.300 HB2 :: 2.324 HB3 :: 2.870 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.348 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.71 C 0.28 C Shift Assignments>> C :: 172.750 CA :: 61.667 CB :: 72.725 CG2 :: 20.261 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.667 HA :: 4.894 HB :: 3.896 HG21 :: 0.838 HG22 :: 0.838 HG23 :: 0.838 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.439 Ave N Shift Values>> N :: 115.42(4.75) 1.L150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.24 R 0.17 G 0.02 A 0.01 C Shift Assignments>> C :: 173.201 CA :: 54.018 CB :: 42.450 CG :: 27.465 CD1 :: 24.091 CD2 :: 26.421 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.155 HA :: 4.625 HB2 :: 1.264 HB3 :: 2.021 HG :: 1.305 HD11 :: 0.798 HD12 :: 0.798 HD13 :: 0.798 HD21 :: 0.909 HD22 :: 0.909 HD23 :: 0.909 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 128.792 Ave N Shift Values>> N :: 121.86(3.9) 1.A151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.47 M 0.37 C 0.06 I 0.03 V 0.02 L 0.02 C Shift Assignments>> C :: 178.381 CA :: 55.600 CB :: 19.293 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.812 HA :: 4.289 HB1 :: 1.449 HB2 :: 1.449 HB3 :: 1.449 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 132.947 Ave N Shift Values>> N :: 123.23(3.54) 1.Q152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.46 C 0.29 Q 0.17 E 0.05 K 0.01 C Shift Assignments>> C :: 174.566 CA :: 54.848 CB :: 32.106 CG :: 33.989 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.450 HA :: 5.301 HB2 :: 1.398 HB3 :: 1.944 HG2 :: 1.901 HG3 :: 2.018 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 115.582 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 M 0.3 E 0.04 Q 0.04 C Shift Assignments>> C :: 173.940 CA :: 55.426 CB :: 34.052 CG :: 34.659 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.349 HA :: 5.168 HB2 :: 2.027 HB3 :: 2.027 HG2 :: 2.323 HG3 :: 2.561 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.666 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.13 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 173.748 CA :: 45.073 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.266 HA2 :: 4.220 HA3 :: 4.552 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 119.678 Ave N Shift Values>> N :: 109.67(3.87) 1.S155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.78 T 0.21 HN Overlap>> 1.D168 1.D168 C Shift Assignments>> C :: 171.319 CA :: 57.840 CB :: 66.640 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.049 HA :: 5.677 HB2 :: 3.739 HB3 :: 3.769 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 120.226 Ave N Shift Values>> N :: 116.28(3.52) 1.Y156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.6 C 0.3 F 0.08 C Shift Assignments>> C :: 172.839 CA :: 56.217 CB :: 41.404 CD1 :: 133.829 CD2 :: 133.829 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.950 HA :: 5.217 HB2 :: 2.957 HB3 :: 3.718 HD1 :: 6.719 HD2 :: 6.719 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.328 Ave N Shift Values>> N :: 120.52(4.2) 1.T157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 174.968 CA :: 62.053 CB :: 70.539 CG2 :: 21.361 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.918 HA :: 4.853 HB :: 4.036 HG21 :: 1.210 HG22 :: 1.210 HG23 :: 1.210 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.011 Ave N Shift Values>> N :: 115.42(4.75) 1.K158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 K 0.38 C Shift Assignments>> C :: 178.778 CA :: 56.331 CB :: 34.040 CG :: 26.736 CD :: 28.808 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.088 HA :: 5.213 HB2 :: 1.895 HB3 :: 2.285 HG2 :: 1.389 HG3 :: 1.426 HD2 :: 1.654 HD3 :: 1.654 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 127.012 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 175.122 CA :: 64.555 CB :: 68.519 CG2 :: 22.639 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.880 HA :: 3.946 HB :: 4.314 HG21 :: 1.174 HG22 :: 1.174 HG23 :: 1.174 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.498 Ave N Shift Values>> N :: 115.42(4.75) 1.N160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.6 C 0.17 M 0.04 Y 0.04 E 0.04 D 0.03 F 0.03 C Shift Assignments>> C :: 176.346 CA :: 52.230 CB :: 37.083 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.559 HA :: 4.660 HB2 :: 2.838 HB3 :: 3.315 HD21 :: 6.916 HD22 :: 7.673 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.660 ND2 :: 110.369 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 174.677 CA :: 45.288 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.201 HA2 :: 3.614 HA3 :: 4.239 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.964 Ave N Shift Values>> N :: 109.67(3.87) 1.T162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 172.923 CA :: 61.814 CB :: 70.900 CG2 :: 21.486 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.529 HA :: 4.446 HB :: 4.241 HG21 :: 1.123 HG22 :: 1.123 HG23 :: 1.123 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 112.375 Ave N Shift Values>> N :: 115.42(4.75) 1.T163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.73 C 0.26 C Shift Assignments>> C :: 173.835 CA :: 59.865 CB :: 71.863 CG2 :: 21.532 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.131 HA :: 5.181 HB :: 4.032 HG21 :: 1.125 HG22 :: 1.125 HG23 :: 1.125 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 111.755 Ave N Shift Values>> N :: 115.42(4.75) 1.A164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.55 L 0.29 C 0.13 K 0.01 C Shift Assignments>> C :: 175.231 CA :: 50.512 CB :: 22.477 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.368 HA :: 4.454 HB1 :: 0.865 HB2 :: 0.865 HB3 :: 0.865 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.370 Ave N Shift Values>> N :: 123.23(3.54) 1.K165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 K 0.38 R 0.21 C Shift Assignments>> C :: 175.569 CA :: 57.475 CB :: 34.378 CG :: 25.868 CD :: 29.223 CE :: 42.125 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.827 HA :: 4.579 HB2 :: 1.739 HB3 :: 1.855 HG2 :: 1.540 HG3 :: 1.618 HD2 :: 1.544 HD3 :: 1.714 HE2 :: 2.926 HE3 :: 2.926 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.253 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.M166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 A 0.35 M 0.19 I 0.02 C Shift Assignments>> C :: 173.789 CA :: 54.312 CB :: 37.487 CG :: 30.671 CE :: 16.721 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.695 HA :: 5.132 HB2 :: 2.131 HB3 :: 2.318 HG2 :: 2.314 HG3 :: 2.397 HE1 :: 1.802 HE2 :: 1.802 HE3 :: 1.802 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 116.098 Ave N Shift Values>> N :: 120.09(3.57) 1.G167 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 C 0.06 L 0.04 C Shift Assignments>> C :: 169.609 CA :: 47.042 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.036 HA2 :: 4.191 HA3 :: 4.712 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.844 Ave N Shift Values>> N :: 109.67(3.87) 1.D168 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 D 0.2 R 0.2 G 0.08 K 0.04 C 0.04 F 0.03 N 0.02 Y 0.01 HN Overlap>> 1.S155 1.S155 C Shift Assignments>> C :: 173.977 CA :: 52.949 CB :: 43.153 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.991 HA :: 4.924 HB2 :: 2.274 HB3 :: 3.290 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.315 Ave N Shift Values>> N :: 120.65(3.86) 1.L169 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.53 L 0.18 C 0.17 R 0.08 A 0.01 C Shift Assignments>> C :: 174.735 CA :: 52.611 CB :: 44.498 CG :: 26.419 CD1 :: 27.916 CD2 :: 24.286 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.959 HA :: 4.923 HB2 :: 0.942 HB3 :: 1.818 HG :: 1.619 HD11 :: 0.492 HD12 :: 0.492 HD13 :: 0.492 HD21 :: 0.629 HD22 :: 0.629 HD23 :: 0.629 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 126.791 Ave N Shift Values>> N :: 121.86(3.9) 1.L170 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.75 C 0.22 A 0.01 C Shift Assignments>> C :: 176.978 CA :: 53.983 CB :: 41.437 CG :: 27.072 CD1 :: 24.278 CD2 :: 24.278 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.151 HA :: 4.548 HB2 :: 1.465 HB3 :: 1.570 HG :: 1.361 HD11 :: 0.768 HD12 :: 0.768 HD13 :: 0.768 HD21 :: 0.768 HD22 :: 0.768 HD23 :: 0.768 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.609 Ave N Shift Values>> N :: 121.86(3.9) 1.L171 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.42 L 0.36 C 0.2 G 0.01 C Shift Assignments>> C :: 177.706 CA :: 53.400 CB :: 42.047 CD1 :: 21.721 CD2 :: 25.073 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.871 HB2 :: 1.194 HB3 :: 1.689 HG :: 1.231 HD11 :: 0.439 HD12 :: 0.439 HD13 :: 0.439 HD21 :: 0.783 HD22 :: 0.783 HD23 :: 0.783 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 127.709 Ave N Shift Values>> N :: 121.86(3.9) 1.A172 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.05 C 0.02 L 0.02 C Shift Assignments>> C :: 176.453 CA :: 52.516 CB :: 20.005 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.414 HA :: 4.073 HB1 :: 1.309 HB2 :: 1.309 HB3 :: 1.309 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.258 Ave N Shift Values>> N :: 123.23(3.54) 1.A173 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.59 L 0.29 C 0.1 C Shift Assignments>> C :: 176.531 CA :: 51.326 CB :: 22.186 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.466 HA :: 4.707 HB1 :: 1.462 HB2 :: 1.462 HB3 :: 1.462 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.943 Ave N Shift Values>> N :: 123.23(3.54) 1.D174 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.26 K 0.13 N 0.07 F 0.06 R 0.05 C 0.04 Y 0.04 C Shift Assignments>> CA :: 53.616 CB :: 41.842 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.020 HA :: 4.692 HB2 :: 2.646 HB3 :: 2.696 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.564 Ave N Shift Values>> N :: 120.65(3.86) 1.N175 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L176 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H177 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S178 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R179 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.F180 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L181 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E182 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.CA1 Overall Status: Residue type CA not supported. ########################################################################### Overall Results: #Consistent: 169 #Clerical: 0 #Suspicious: 11 #Anomalous: 1 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 147 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 34 Shift Relative Order (SRO) Results: #Consistent: 182 #Suspicious: 0 C Shift Results: #Consistent: 574 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 H Shift Results: #Consistent: 919 #Duplicate: 0 #Unknown: 0 #Suspicious: 13 #Anomalous: 1 N Shift Results: #Consistent: 154 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 Error Summary: 1.D3 HA = 6.077(S), Expected = 4.59, Std = 0.3200, ChiSquare = 3.3700e-06 1.L7 CG = 30.492(S), Expected = 26.78, Std = 1.1000, ChiSquare = 7.3938e-04 1.E15 N = 133.704(S), Expected = 120.67, Std = 3.4800, ChiSquare = 1.8010e-04 1.V41 H = 5.860(S), Expected = 8.29, Std = 0.6700, ChiSquare = 2.8688e-04 1.V41 HB = 0.808(S), Expected = 1.98, Std = 0.3200, ChiSquare = 2.4977e-04 1.L47 HD11 = -0.623(S), Expected = 0.75, Std = 0.2800, ChiSquare = 9.4110e-07 1.L47 HD12 = -0.623(S), Expected = 0.75, Std = 0.2800, ChiSquare = 9.4110e-07 1.L47 HD13 = -0.623(S), Expected = 0.75, Std = 0.2800, ChiSquare = 9.4110e-07 1.I58 Typing: Mistyped 1.I58 CD1 = 7.021(S), Expected = 13.43, Std = 1.6700, ChiSquare = 1.2418e-04 1.E63 HB3 = 2.941(S), Expected = 1.99, Std = 0.2300, ChiSquare = 3.5529e-05 1.A72 H = 10.237(S), Expected = 8.20, Std = 0.6000, ChiSquare = 6.8629e-04 1.D110 HB2 = 1.401(S), Expected = 2.72, Std = 0.2600, ChiSquare = 3.9143e-07 1.S117 HB2 = 1.494(A), Expected = 3.88, Std = 0.2500, ChiSquare = 1.3743e-21 1.S117 HB3 = 2.833(S), Expected = 3.85, Std = 0.2700, ChiSquare = 1.6544e-04 1.S117 N = 128.490(S), Expected = 116.28, Std = 3.5200, ChiSquare = 5.2289e-04 1.Q118 HE22 = 8.894(S), Expected = 7.02, Std = 0.4400, ChiSquare = 2.0526e-05 1.E121 HB3 = 3.325(S), Expected = 1.99, Std = 0.2300, ChiSquare = 6.4617e-09 1.Y137 HB2 = 1.646(S), Expected = 2.91, Std = 0.3700, ChiSquare = 6.3498e-04