Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.A1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.94 M 0.05 C Shift Assignments>> CA :: 51.22 CB :: 19.28 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> HA :: 3.846 HB1 :: 1.243 HB2 :: 1.243 HB3 :: 1.243 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 1.E2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> E 0.42 Q 0.23 M 0.17 K 0.15 C Shift Assignments>> C :: 175.82 CA :: 55.12 CB :: 30.12 CG :: 35.46 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>> HA :: 4.117 HB2 :: 1.844 HB3 :: 1.726 HG2 :: 2.145 HG3 :: 2.098 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) 1.H3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.61 W 0.38 C Shift Assignments>> C :: 175.12 CA :: 54.14 CB :: 29.27 CD2 :: 118.86 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 :: 8.157 HA :: 4.578 HB2 :: 2.672 HB3 :: 3.266 HD2 :: 6.197 HE1 :: 6.815 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 :: 119.73 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.N4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.98 C Shift Assignments>> CA :: 51.71 CB :: 36.07 CG :: 176.04 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 :: 9.220 HA :: 4.953 HB2 :: 3.039 HB3 :: 2.620 HD21 :: 7.860 HD22 :: 6.867 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 :: 122.14 ND2 :: 113.87 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 173.98 CA :: 63.29 CB :: 32.11 CG :: 28.10 CD :: 49.70 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.975 HB2 :: 2.352 HB3 :: 1.793 HG2 :: 2.056 HG3 :: 2.163 HD2 :: 4.044 HD3 :: 4.044 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.V6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.62 CA :: 60.04 CB :: 34.26 CG1 :: 22.38 CG2 :: 23.41 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 :: 8.326 HA :: 4.892 HB :: 1.982 HG11 :: 0.630 HG12 :: 0.630 HG13 :: 0.630 HG21 :: 1.129 HG22 :: 1.129 HG23 :: 1.129 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 :: 121.16 Ave N Shift Values>> N :: 121.14(4.54) 1.V7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.38 CA :: 60.92 CB :: 33.31 CG1 :: 20.34 CG2 :: 21.47 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 :: 9.277 HA :: 4.544 HB :: 1.901 HG11 :: 0.624 HG12 :: 0.624 HG13 :: 0.624 HG21 :: 0.917 HG22 :: 0.917 HG23 :: 0.917 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 :: 126.53 Ave N Shift Values>> N :: 121.14(4.54) 1.M8 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.87 M 0.12 C Shift Assignments>> C :: 176.99 CA :: 53.69 CB :: 30.88 CG :: 34.11 CE :: 19.42 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 :: 8.847 HA :: 5.163 HB2 :: 1.087 HB3 :: -0.417(S) HG2 :: 1.870 HG3 :: 2.231 HE1 :: 1.725 HE2 :: 1.725 HE3 :: 1.725 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 :: 126.43 Ave N Shift Values>> N :: 120.09(3.57) 1.V9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.12 CA :: 62.64 CB :: 34.08 CG1 :: 22.23 CG2 :: 21.57 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 :: 8.682 HA :: 3.781 HB :: 1.790 HG11 :: 1.127 HG12 :: 1.127 HG13 :: 1.127 HG21 :: 0.665 HG22 :: 0.665 HG23 :: 0.665 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 :: 125.84 Ave N Shift Values>> N :: 121.14(4.54) 1.H10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.18 H 0.17 K 0.15 W 0.13 R 0.13 E 0.13 M 0.05 L 0.01 I 0.01 C Shift Assignments>> C :: 173.99 CA :: 55.53 CB :: 29.31 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 :: 7.613 HA :: 4.966 HB2 :: 3.334 HB3 :: 3.334 HD1 :: 12.813 HD2 :: 6.416 HE1 :: 7.816 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 :: 127.08 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.34 L 0.31 G 0.17 D 0.05 F 0.05 Y 0.02 K 0.01 C Shift Assignments>> C :: 177.14 CA :: 43.79 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.613 HA2 :: 4.949 HA3 :: 3.334 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.12 Ave N Shift Values>> N :: 109.67(3.87) 1.I12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 178.59 CA :: 63.66 CB :: 37.08 CG1 :: 28.81 CG2 :: 16.62 CD1 :: 13.20 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 :: 8.663 HA :: 3.832 HB :: 1.758 HG12 :: 1.476 HG13 :: 0.801 HG21 :: 0.917 HG22 :: 0.917 HG23 :: 0.917 HD11 :: 0.843 HD12 :: 0.843 HD13 :: 0.843 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 :: 123.22 Ave N Shift Values>> N :: 121.46(4.28) 1.G13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.08 C Shift Assignments>> C :: 174.21 CA :: 45.47 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.269 HA2 :: 3.864 HA3 :: 4.196 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.88 Ave N Shift Values>> N :: 109.67(3.87) 1.G14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.37 L 0.31 G 0.14 D 0.05 F 0.05 Y 0.02 K 0.01 C Shift Assignments>> C :: 170.27 CA :: 43.69 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.813 HA2 :: 4.415 HA3 :: 3.381 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.14 Ave N Shift Values>> N :: 109.67(3.87) 1.A15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.71 L 0.27 C Shift Assignments>> C :: 177.70 CA :: 50.70 CB :: 22.22 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 6.981 HA :: 3.700 HB1 :: 0.818 HB2 :: 0.818 HB3 :: 0.818 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 114.81 Ave N Shift Values>> N :: 123.23(3.54) 1.S16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S32 1.S32 C Shift Assignments>> C :: 178.59 CA :: 60.35 CB :: 61.27 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.499 HA :: 4.694 HB2 :: 4.204 HB3 :: 3.619 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 :: 117.98 Ave N Shift Values>> N :: 116.28(3.52) 1.F17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.52 Y 0.47 C Shift Assignments>> C :: 177.28 CA :: 58.35 CB :: 37.12 CD1 :: 131.46 CD2 :: 131.46 CE1 :: 131.70 CE2 :: 131.70 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 :: 6.897 HA :: 4.543 HB2 :: 3.096 HB3 :: 3.374 HD1 :: 7.184 HD2 :: 7.184 HE1 :: 7.294 HE2 :: 7.294 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 :: 116.89 Ave N Shift Values>> N :: 120.45(4.18) 1.N18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.82 D 0.17 HN Overlap>> 1.N51 1.N51 C Shift Assignments>> C :: 174.44 CA :: 54.69 CB :: 38.53 CG :: 176.26 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 :: 8.027 HA :: 4.505 HB2 :: 2.337 HB3 :: 2.407 HD21 :: 6.942 HD22 :: 7.475 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 :: 120.26 ND2 :: 109.96 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.5 Y 0.49 C Shift Assignments>> C :: 174.50 CA :: 59.24 CB :: 39.59 CD1 :: 131.97 CD2 :: 131.97 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 :: 7.438 HA :: 4.292 HB2 :: 2.228 HB3 :: 2.626 HD1 :: 7.112 HD2 :: 7.112 HE1 :: 6.865 HE2 :: 6.865 HZ :: 7.112 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 :: 111.86 Ave N Shift Values>> N :: 120.45(4.18) 1.A20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.63 A 0.25 I 0.08 V 0.01 C Shift Assignments>> C :: 180.09 CA :: 56.11 CB :: 18.29 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.433 HA :: 3.958 HB1 :: 1.593 HB2 :: 1.593 HB3 :: 1.593 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.08 Ave N Shift Values>> N :: 123.23(3.54) 1.G21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 176.72 CA :: 46.85 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.133 HA2 :: 3.922 HA3 :: 3.711 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.34 Ave N Shift Values>> N :: 109.67(3.87) 1.I22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.Q150 1.Q150 C Shift Assignments>> C :: 177.84 CA :: 65.41 CB :: 38.31 CG1 :: 29.65 CG2 :: 16.87 CD1 :: 15.14 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 :: 7.971 HA :: 3.464 HB :: 1.684 HG12 :: 1.721 HG13 :: 0.952 HG21 :: 0.785 HG22 :: 0.785 HG23 :: 0.785 HD11 :: 0.773 HD12 :: 0.773 HD13 :: 0.773 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 :: 126.48 Ave N Shift Values>> N :: 121.46(4.28) 1.K23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.8 R 0.18 C Shift Assignments>> C :: 177.30 CA :: 60.56 CB :: 32.66 CG :: 25.85 CD :: 29.97 CE :: 41.56 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 :: 8.887 HA :: 3.679 HB2 :: 1.798 HB3 :: 1.798 HG2 :: 1.134 HG3 :: 1.476 HD2 :: 1.554 HD3 :: 1.554 HE2 :: 2.754 HE3 :: 2.986 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 :: 118.84 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.57 CA :: 61.69 CB :: 62.19 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.729 HA :: 4.023 HB2 :: 4.000 HB3 :: 4.030 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 :: 111.99 Ave N Shift Values>> N :: 116.28(3.52) 1.Y25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 178.78 CA :: 60.93 CB :: 37.27 CE1 :: 118.19 CE2 :: 118.19 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 :: 8.274 HA :: 4.121 HB2 :: 3.050 HB3 :: 2.871 HD1 :: 7.107 HD2 :: 7.107 HE1 :: 6.316 HE2 :: 6.316 HH :: 9.777 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 :: 122.52 Ave N Shift Values>> N :: 120.52(4.2) 1.L26 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.79 L 0.2 C Shift Assignments>> C :: 180.43 CA :: 58.02 CB :: 38.80 CG :: 26.08 CD1 :: 25.50 CD2 :: 18.91 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 :: 8.798 HA :: 3.375 HB2 :: 1.566 HB3 :: 0.683 HG :: 1.629 HD11 :: 0.043 HD12 :: 0.043 HD13 :: 0.043 HD21 :: -0.554(S) HD22 :: -0.554(S) HD23 :: -0.554(S) 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 :: 122.11 Ave N Shift Values>> N :: 121.86(3.9) 1.V27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.F58 1.F58 C Shift Assignments>> C :: 180.79 CA :: 65.46 CB :: 31.18 CG1 :: 23.01 CG2 :: 20.52 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 :: 8.433 HA :: 4.499 HB :: 2.112 HG11 :: 0.941 HG12 :: 0.941 HG13 :: 0.941 HG21 :: 0.978 HG22 :: 0.978 HG23 :: 0.978 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 :: 122.28 Ave N Shift Values>> N :: 121.14(4.54) 1.S28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.63 CA :: 60.99 CB :: 62.69 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.861 HA :: 4.354 HB2 :: 4.036 HB3 :: 4.036 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 :: 118.01 Ave N Shift Values>> N :: 116.28(3.52) 1.Q29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.99 HN Overlap>> 1.L108 1.L108 C Shift Assignments>> C :: 176.13 CA :: 53.53 CB :: 28.91 CG :: 32.47 CD :: 179.31 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 :: 7.337 HA :: 4.349 HB2 :: 1.884 HB3 :: 2.665 HG2 :: 1.677 HG3 :: 1.629 HE21 :: 6.781 HE22 :: 6.972 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 :: 117.52 NE2 :: 115.37 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.08 C Shift Assignments>> C :: 175.08 CA :: 45.53 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.937 HA2 :: 4.414 HA3 :: 3.773 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.08 Ave N Shift Values>> N :: 109.67(3.87) 1.W31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 176.08 CA :: 59.53 CB :: 31.25 CD1 :: 127.44 CE3 :: 122.44 CZ2 :: 114.35 CZ3 :: 119.45 CH2 :: 122.65 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 :: 8.528 HA :: 4.311 HB2 :: 2.668 HB3 :: 2.668 HD1 :: 7.274 HE1 :: 10.427 HE3 :: 7.477 HZ2 :: 6.809 HZ3 :: 6.579 HH2 :: 6.905 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 :: 125.31 NE1 :: 129.10 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.S32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S16 1.S16 C Shift Assignments>> C :: 176.55 CA :: 57.48 CB :: 63.11 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.554 HA :: 4.411 HB2 :: 3.875 HB3 :: 3.875 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 :: 117.96 Ave N Shift Values>> N :: 116.28(3.52) 1.R33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.71 K 0.2 G 0.05 L 0.01 C Shift Assignments>> C :: 176.97 CA :: 59.28 CB :: 29.84 CG :: 26.63 CD :: 42.88 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 :: 9.061 HA :: 3.610 HB2 :: 1.864 HB3 :: 1.778 HG2 :: 1.621 HG3 :: 1.497 HD2 :: 3.164 HD3 :: 3.227 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 :: 127.67 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.D34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.32 D 0.29 F 0.12 L 0.12 Y 0.11 C Shift Assignments>> C :: 176.01 CA :: 54.21 CB :: 39.66 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 :: 8.067 HA :: 4.339 HB2 :: 2.646 HB3 :: 2.605 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 :: 113.75 Ave N Shift Values>> N :: 120.65(3.86) 1.K35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.79 R 0.19 G 0.01 C Shift Assignments>> C :: 174.64 CA :: 54.34 CB :: 32.98 CG :: 25.13 CD :: 28.86 CE :: 42.19 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 :: 7.549 HA :: 4.658 HB2 :: 1.871 HB3 :: 2.260 HG2 :: 1.606 HG3 :: 1.398 HD2 :: 1.719 HD3 :: 1.812 HE2 :: 3.022 HE3 :: 3.022 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 :: 117.19 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.51 G 0.28 L 0.16 A 0.03 C Shift Assignments>> C :: 174.65 CA :: 53.37 CB :: 42.81 CG :: 24.74 CD1 :: 24.74 CD2 :: 28.73 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 :: 6.823 HA :: 4.851 HB2 :: 1.922 HB3 :: 0.875 HG :: 2.004 HD11 :: 0.747 HD12 :: 0.747 HD13 :: 0.747 HD21 :: 0.771 HD22 :: 0.771 HD23 :: 0.771 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 :: 121.03 Ave N Shift Values>> N :: 121.86(3.9) 1.Y37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.98 G 0.01 C Shift Assignments>> CA :: 56.43 CB :: 41.87 CD1 :: 132.77 CD2 :: 132.77 CE1 :: 117.97 CE2 :: 117.97 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 :: 9.275 HA :: 4.698 HB2 :: 3.104 HB3 :: 2.983 HD1 :: 6.966 HD2 :: 6.966 HE1 :: 6.608 HE2 :: 6.608 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 :: 122.34 Ave N Shift Values>> N :: 120.52(4.2) 1.A38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.84 L 0.14 C Shift Assignments>> C :: 173.95 CA :: 50.88 CB :: 21.68 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.848 HA :: 4.945 HB1 :: 1.249 HB2 :: 1.249 HB3 :: 1.249 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 1.V39 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.97 A 0.02 C Shift Assignments>> C :: 172.46 CA :: 59.27 CB :: 32.64 CG1 :: 21.49 CG2 :: 18.39 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 :: 6.707 HA :: 3.129 HB :: 0.448(S) HG11 :: -0.071(S) HG12 :: -0.071(S) HG13 :: -0.071(S) HG21 :: -0.202(S) HG22 :: -0.202(S) HG23 :: -0.202(S) 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 :: 120.96 Ave N Shift Values>> N :: 121.14(4.54) 1.D40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.36 R 0.27 D 0.13 G 0.12 F 0.04 K 0.02 Y 0.02 C Shift Assignments>> C :: 175.12 CA :: 54.12 CB :: 43.65 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 :: 7.775 HA :: 5.242 HB2 :: 2.484 HB3 :: 2.393 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 :: 123.48 Ave N Shift Values>> N :: 120.65(3.86) 1.F41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.82 F 0.16 C Shift Assignments>> C :: 175.97 CA :: 56.35 CB :: 37.48 CZ :: 131.93 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 :: 10.541 HA :: 4.596 HB2 :: 2.707 HB3 :: 2.828 HD1 :: 7.179 HD2 :: 7.179 HE1 :: 6.556 HE2 :: 6.556 HZ :: 7.112 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 :: 125.95 Ave N Shift Values>> N :: 120.45(4.18) 1.W42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 177.11 CA :: 56.41 CB :: 28.64 CD1 :: 128.03 CZ2 :: 113.94 CH2 :: 124.81 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 :: 7.697 HA :: 4.732 HB2 :: 3.554 HB3 :: 3.274 HD1 :: 7.508 HE1 :: 10.289 HE3 :: 7.685 HZ2 :: 7.491 HZ3 :: 7.233 HH2 :: 7.141 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 :: 120.40 NE1 :: 128.43 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.D43 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.62 D 0.13 Y 0.08 F 0.07 L 0.03 E 0.01 M 0.01 C Shift Assignments>> C :: 177.50 CA :: 53.22 CB :: 38.28 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 :: 7.216 HA :: 4.466 HB2 :: 0.956(S) HB3 :: 2.749 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 :: 121.02 Ave N Shift Values>> N :: 120.65(3.86) 1.K44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.59 R 0.38 G 0.01 C Shift Assignments>> C :: 177.54 CA :: 56.51 CB :: 31.75 CG :: 24.48 CD :: 28.42 CE :: 42.18 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 :: 8.787 HA :: 4.296 HB2 :: 1.992 HB3 :: 1.992 HG2 :: 1.696 HG3 :: 1.637 HD2 :: 1.723 HD3 :: 1.723 HE2 :: 3.143 HE3 :: 3.143 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 :: 125.99 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.05 CA :: 62.14 CB :: 69.18 CG2 :: 21.31 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 :: 8.688 HA :: 4.338 HB :: 4.296 HG21 :: 1.193 HG22 :: 1.193 HG23 :: 1.193 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 :: 109.65 Ave N Shift Values>> N :: 115.42(4.75) 1.G46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.06 C Shift Assignments>> C :: 172.99 CA :: 46.33 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.366 HA2 :: 3.560 HA3 :: 3.560 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.25 Ave N Shift Values>> N :: 109.67(3.87) 1.T47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 62.18 CB :: 68.98 CG2 :: 21.33 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 :: 6.804 HA :: 3.583 HB :: 3.886 HG21 :: 1.075 HG22 :: 1.075 HG23 :: 1.075 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 :: 110.05 Ave N Shift Values>> N :: 115.42(4.75) 1.N48 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.99 C Shift Assignments>> CA :: 55.53 CB :: 35.99 CG :: 173.50 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 :: 8.727 HA :: 3.641 HB2 :: 0.758(S) HB3 :: 2.014 HD21 :: 7.302 HD22 :: 6.195 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 :: 124.46 ND2 :: 108.72 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Y49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 176.27 CA :: 59.95 CB :: 37.57 CD1 :: 132.63 CD2 :: 132.63 CE1 :: 118.12 CE2 :: 118.12 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 :: 7.606 HA :: 3.865 HB2 :: 2.662 HB3 :: 3.012 HD1 :: 6.995 HD2 :: 6.995 HE1 :: 6.844 HE2 :: 6.844 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 :: 114.80 Ave N Shift Values>> N :: 120.52(4.2) 1.N50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.93 D 0.06 C Shift Assignments>> C :: 177.25 CA :: 53.12 CB :: 38.50 CG :: 174.96 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 :: 6.662 HA :: 4.818 HB2 :: 2.484 HB3 :: 1.986 HD21 :: 7.070 HD22 :: 7.791 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 :: 111.07 ND2 :: 114.67 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N51 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.33 Q 0.24 K 0.16 E 0.09 N 0.04 H 0.03 R 0.03 Y 0.01 W 0.01 HN Overlap>> 1.N18 1.N18 C Shift Assignments>> C :: 177.54 CA :: 53.97 CB :: 34.69 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 :: 7.987 HA :: 3.987 HB2 :: 1.808 HB3 :: 0.938(S) HD21 :: 5.581(S) HD22 :: 5.852 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 :: 120.17 ND2 :: 106.55 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.55 G 0.16 A 0.16 N 0.06 D 0.01 C Shift Assignments>> CA :: 48.49 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.978 HA2 :: 3.966 HA3 :: 3.695 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.71 Ave N Shift Values>> N :: 109.67(3.87) 1.P53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.98 S 0.01 C Shift Assignments>> C :: 178.69 CA :: 65.22 CB :: 31.96 CG :: 28.02 CD :: 52.09 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.336 HB2 :: 2.001 HB3 :: 2.557 HG2 :: 1.976 HG3 :: 2.281 HD2 :: 3.463 HD3 :: 3.551 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.V54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 178.74 CA :: 66.00 CB :: 31.50 CG1 :: 22.55 CG2 :: 21.18 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 :: 6.491 HA :: 3.745 HB :: 2.298 HG11 :: 1.441 HG12 :: 1.441 HG13 :: 1.441 HG21 :: 1.101 HG22 :: 1.101 HG23 :: 1.101 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 :: 116.19 Ave N Shift Values>> N :: 121.14(4.54) 1.L55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.95 R 0.03 C Shift Assignments>> C :: 176.67 CA :: 57.45 CB :: 41.33 CG :: 26.27 CD1 :: 26.30 CD2 :: 23.74 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 :: 8.371 HA :: 3.923 HB2 :: 1.878 HB3 :: 1.349 HG :: 0.894 HD11 :: 0.773 HD12 :: 0.773 HD13 :: 0.773 HD21 :: 0.675 HD22 :: 0.675 HD23 :: 0.675 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 :: 121.65 Ave N Shift Values>> N :: 121.86(3.9) 1.S56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.G80 1.G80 C Shift Assignments>> C :: 178.80 CA :: 60.20 CB :: 61.56 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.311 HA :: 4.031 HB2 :: 4.143 HB3 :: 4.143 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 :: 110.69 Ave N Shift Values>> N :: 116.28(3.52) 1.R57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.78 K 0.12 G 0.09 C Shift Assignments>> C :: 178.26 CA :: 58.71 CB :: 30.02 CG :: 27.69 CD :: 43.18 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 :: 8.035 HA :: 4.109 HB2 :: 1.945 HB3 :: 2.009 HG2 :: 1.741 HG3 :: 1.939 HD2 :: 3.344 HD3 :: 3.228 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 :: 118.77 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.F58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.6 Y 0.39 HN Overlap>> 1.V27 1.V27 C Shift Assignments>> C :: 177.16 CA :: 61.39 CB :: 39.95 CD1 :: 130.97 CD2 :: 130.98 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 :: 8.343 HA :: 4.103 HB2 :: 2.989 HB3 :: 3.198 HD1 :: 6.974 HD2 :: 6.974 HE1 :: 7.152 HE2 :: 7.152 HZ :: 7.242 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 :: 122.26 Ave N Shift Values>> N :: 120.45(4.18) 1.V59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.14 CA :: 67.07 CB :: 31.43 CG1 :: 23.30 CG2 :: 21.59 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 :: 8.812 HA :: 3.130 HB :: 2.005 HG11 :: 0.878 HG12 :: 0.878 HG13 :: 0.878 HG21 :: 0.919 HG22 :: 0.919 HG23 :: 0.919 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 :: 118.24 Ave N Shift Values>> N :: 121.14(4.54) 1.Q60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.94 E 0.05 C Shift Assignments>> C :: 177.17 CA :: 58.35 CB :: 28.01 CG :: 33.25 CD :: 179.85 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 :: 7.733 HA :: 3.740 HB2 :: 2.052 HB3 :: 2.261 HG2 :: 2.320 HG3 :: 2.351 HE21 :: 7.600 HE22 :: 6.851 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 :: 117.29 NE2 :: 116.04 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.78 R 0.2 C Shift Assignments>> C :: 178.39 CA :: 58.89 CB :: 31.09 CG :: 23.95 CD :: 29.00 CE :: 41.68 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 :: 7.552 HA :: 4.011 HB2 :: 1.751 HB3 :: 1.820 HG2 :: 1.125 HG3 :: 1.403 HD2 :: 1.587 HD3 :: 1.460 HE2 :: 2.830 HE3 :: 2.899 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 :: 119.33 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V62 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.D133 1.D133 C Shift Assignments>> C :: 180.00 CA :: 66.15 CB :: 30.32 CG1 :: 21.85 CG2 :: 21.09 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 :: 7.610 HA :: 2.924 HB :: 1.818 HG11 :: 0.264 HG12 :: 0.264 HG13 :: 0.264 HG21 :: -0.370(S) HG22 :: -0.370(S) HG23 :: -0.370(S) 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 :: 120.14 Ave N Shift Values>> N :: 121.14(4.54) 1.L63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.97 A 0.02 C Shift Assignments>> C :: 179.63 CA :: 58.27 CB :: 39.64 CG :: 25.40 CD1 :: 25.46 CD2 :: 22.21 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 :: 8.693 HA :: 3.669 HB2 :: 1.861 HB3 :: 1.393 HG :: 1.719 HD11 :: 0.725 HD12 :: 0.725 HD13 :: 0.725 HD21 :: 0.383 HD22 :: 0.383 HD23 :: 0.383 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 :: 123.02 Ave N Shift Values>> N :: 121.86(3.9) 1.D64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 Y 0.28 D 0.15 L 0.12 I 0.06 N 0.05 K 0.01 C Shift Assignments>> C :: 178.92 CA :: 56.94 CB :: 39.90 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 :: 8.573 HA :: 4.262 HB2 :: 2.613 HB3 :: 2.829 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 :: 120.55 Ave N Shift Values>> N :: 120.65(3.86) 1.E65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.61 I 0.13 K 0.1 Q 0.07 M 0.07 C Shift Assignments>> C :: 178.56 CA :: 58.46 CB :: 29.94 CG :: 36.23 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 :: 8.322 HA :: 4.108 HB2 :: 2.071 HB3 :: 2.028 HG2 :: 2.445 HG3 :: 2.251 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 :: 117.66 Ave N Shift Values>> N :: 120.67(3.48) 1.T66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 177.15 CA :: 62.53 CB :: 71.55 CG2 :: 22.36 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 :: 7.979 HA :: 4.382 HB :: 4.238 HG21 :: 1.512 HG22 :: 1.512 HG23 :: 1.512 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 :: 105.89 Ave N Shift Values>> N :: 115.42(4.75) 1.G67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.08 C Shift Assignments>> C :: 173.82 CA :: 45.43 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.215 HA2 :: 4.130 HA3 :: 3.865 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.05 Ave N Shift Values>> N :: 109.67(3.87) 1.A68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.95 M 0.03 C Shift Assignments>> C :: 175.64 CA :: 51.37 CB :: 19.70 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.639 HA :: 4.316 HB1 :: 1.380 HB2 :: 1.380 HB3 :: 1.380 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.41 Ave N Shift Values>> N :: 123.23(3.54) 1.K69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.73 R 0.25 HN Overlap>> 1.Y125 1.Y125 C Shift Assignments>> C :: 176.59 CA :: 56.32 CB :: 33.27 CG :: 24.83 CD :: 28.04 CE :: 41.90 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 :: 8.161 HA :: 4.265 HB2 :: 1.707 HB3 :: 1.829 HG2 :: 1.511 HG3 :: 1.429 HD2 :: 1.622 HD3 :: 1.622 HE2 :: 2.974 HE3 :: 2.974 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 :: 116.11 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K70 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.93 G 0.06 C Shift Assignments>> C :: 174.65 CA :: 53.58 CB :: 39.19(S) CG :: 25.82 CD :: 32.73(S) CE :: 41.98 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 :: 7.454 HA :: 4.622 HB2 :: 1.420 HB3 :: 1.382 HG2 :: 1.147 HG3 :: 1.147 HD2 :: 1.690 HD3 :: 1.778 HE2 :: 2.716 HE3 :: 2.716 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 :: 114.41 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.76 A 0.22 C Shift Assignments>> C :: 174.59 CA :: 58.06 CB :: 34.02 CG1 :: 19.00 CG2 :: 22.22 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 :: 8.301 HA :: 4.861 HB :: 2.278 HG11 :: 0.827 HG12 :: 0.827 HG13 :: 0.827 HG21 :: 0.743 HG22 :: 0.743 HG23 :: 0.743 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 :: 107.00 Ave N Shift Values>> N :: 121.14(4.54) 1.D72 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.32 G 0.27 R 0.18 D 0.15 F 0.02 K 0.01 Y 0.01 N 0.01 C Shift Assignments>> C :: 175.86 CA :: 52.53 CB :: 43.71 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 :: 8.824 HA :: 5.703(S) HB2 :: 2.709 HB3 :: 2.484 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 :: 120.00 Ave N Shift Values>> N :: 120.65(3.86) 1.I73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.94 A 0.02 G 0.02 C Shift Assignments>> C :: 175.29 CA :: 58.55 CB :: 42.01 CG1 :: 27.78 CG2 :: 17.17 CD1 :: 12.84 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 :: 8.859 HA :: 5.430 HB :: 1.543 HG12 :: 1.130 HG13 :: 1.544 HG21 :: 0.922 HG22 :: 0.922 HG23 :: 0.922 HD11 :: 0.833 HD12 :: 0.833 HD13 :: 0.833 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 :: 119.20 Ave N Shift Values>> N :: 121.46(4.28) 1.V74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 173.97 CA :: 59.97 CB :: 33.68 CG1 :: 21.09 CG2 :: 21.28 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 :: 8.054 HA :: 5.099 HB :: 1.618 HG11 :: 0.753 HG12 :: 0.753 HG13 :: 0.753 HG21 :: 0.678 HG22 :: 0.678 HG23 :: 0.678 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 :: 125.28 Ave N Shift Values>> N :: 121.14(4.54) 1.A75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.7 G 0.16 L 0.12 C Shift Assignments>> C :: 174.80 CA :: 49.04 CB :: 22.20 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.203 HA :: 5.482 HB1 :: 1.028 HB2 :: 1.028 HB3 :: 1.028 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.76 Ave N Shift Values>> N :: 123.23(3.54) 1.H76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.89 H 0.09 C Shift Assignments>> C :: 175.79 CA :: 53.26 CB :: 36.36 CD2 :: 116.50 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 :: 8.792 HA :: 5.630 HB2 :: 2.842 HB3 :: 3.107 HD2 :: 6.631 HE1 :: 7.213 HE2 :: 9.914 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 :: 121.97 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.S77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.25 CB :: 60.92 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.932 HA :: 4.552 HB2 :: 3.186 HB3 :: 3.689 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 :: 122.80 Ave N Shift Values>> N :: 116.28(3.52) 1.M78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.89 A 0.1 C Shift Assignments>> C :: 175.82 CA :: 56.33 CB :: 31.40 CG :: 32.13 CE :: 16.61 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 :: 7.066 HA :: 4.543 HB2 :: 2.123 HB3 :: 2.413 HG2 :: 2.765 HG3 :: 2.765 HE1 :: 1.900 HE2 :: 1.900 HE3 :: 1.900 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) 1.G79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 P 0.09 A 0.06 L 0.03 N 0.02 C Shift Assignments>> C :: 178.79 CA :: 47.75 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.064 HA2 :: 3.625 HA3 :: 3.826 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.01 Ave N Shift Values>> N :: 109.67(3.87) 1.G80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.05 A 0.01 HN Overlap>> 1.S56 1.S56 C Shift Assignments>> C :: 174.14 CA :: 47.20 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.398 HA2 :: 3.463 HA3 :: 4.155 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.71 Ave N Shift Values>> N :: 109.67(3.87) 1.A81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.74 A 0.17 I 0.07 C Shift Assignments>> C :: 182.10 CA :: 55.94 CB :: 17.21 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 6.335 HA :: 4.123 HB1 :: 1.809 HB2 :: 1.809 HB3 :: 1.809 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.29 Ave N Shift Values>> N :: 123.23(3.54) 1.N82 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.24 F 0.22 N 0.21 D 0.16 L 0.07 I 0.03 E 0.02 M 0.01 C Shift Assignments>> C :: 176.57 CA :: 55.67 CB :: 38.82 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 :: 8.336 HA :: 4.482 HB2 :: 3.848(S) HB3 :: 2.568 HD21 :: 7.438 HD22 :: 6.803 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 :: 117.06 ND2 :: 111.91 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.74 CA :: 67.76 CB :: 68.26 CG2 :: 21.04 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 :: 8.033 HA :: 3.807 HB :: 4.302 HG21 :: 1.177 HG22 :: 1.177 HG23 :: 1.177 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 :: 117.17 Ave N Shift Values>> N :: 115.42(4.75) 1.L84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.85 R 0.11 A 0.02 C Shift Assignments>> C :: 177.46 CA :: 57.70 CB :: 41.12 CG :: 27.81 CD1 :: 26.30 CD2 :: 22.33 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 :: 7.972 HA :: 4.078 HB2 :: 1.897 HB3 :: 1.403 HG :: 1.779 HD11 :: 0.895 HD12 :: 0.895 HD13 :: 0.895 HD21 :: 0.919 HD22 :: 0.919 HD23 :: 0.919 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 :: 120.58 Ave N Shift Values>> N :: 121.86(3.9) 1.Y85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.56 Y 0.2 F 0.14 E 0.05 V 0.01 C Shift Assignments>> C :: 176.36 CA :: 61.33 CB :: 37.49 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 :: 8.271 HA :: 3.920 HB2 :: 3.059 HB3 :: 3.011 HD1 :: 7.101 HD2 :: 7.101 HE1 :: 6.818 HE2 :: 6.818 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 :: 121.36 Ave N Shift Values>> N :: 120.52(4.2) 1.Y86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.36 F 0.29 I 0.24 E 0.04 D 0.01 L 0.01 C Shift Assignments>> C :: 176.74 CA :: 58.90 CB :: 38.44 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 :: 8.038 HA :: 4.255 HB2 :: 3.268 HB3 :: 3.587 HD1 :: 7.036 HD2 :: 7.036 HE1 :: 6.830 HE2 :: 6.830 HH :: 9.777 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 :: 121.84 Ave N Shift Values>> N :: 120.52(4.2) 1.I87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.62 CA :: 64.84 CB :: 39.11 CG1 :: 29.25 CG2 :: 17.27 CD1 :: 14.30 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 :: 7.575 HA :: 2.707 HB :: 1.628 HG12 :: 1.650 HG13 :: 0.460 HG21 :: 0.625 HG22 :: 0.625 HG23 :: 0.625 HD11 :: 0.869 HD12 :: 0.869 HD13 :: 0.869 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 :: 118.81 Ave N Shift Values>> N :: 121.46(4.28) 1.K88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.96 R 0.02 C Shift Assignments>> C :: 177.30 CA :: 59.05 CB :: 34.08 CG :: 24.10 CD :: 29.60 CE :: 41.58 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 :: 8.558 HA :: 3.782 HB2 :: 1.661 HB3 :: 1.661 HG2 :: 1.229 HG3 :: 1.229 HD2 :: 1.467 HD3 :: 1.467 HE2 :: 2.987 HE3 :: 2.987 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 :: 119.76 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N89 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.32 D 0.3 L 0.12 F 0.12 Y 0.11 C Shift Assignments>> C :: 175.39 CA :: 54.10 CB :: 39.74 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 :: 8.503 HA :: 4.624 HB2 :: 2.329 HB3 :: 1.437(S) HD21 :: 6.877 HD22 :: 6.603 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 :: 113.02 ND2 :: 111.03 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 L 0.1 C Shift Assignments>> C :: 175.71 CA :: 52.18 CB :: 39.12 CG :: 26.69 CD1 :: 21.50 CD2 :: 26.36 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 :: 6.498 HA :: 4.908 HB2 :: 1.850 HB3 :: 2.428 HG :: 1.375 HD11 :: 0.880 HD12 :: 0.880 HD13 :: 0.880 HD21 :: 0.967 HD22 :: 0.967 HD23 :: 0.967 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 :: 118.56 Ave N Shift Values>> N :: 121.86(3.9) 1.D91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.52 D 0.24 F 0.07 L 0.07 Y 0.06 C Shift Assignments>> C :: 175.66 CA :: 52.95 CB :: 39.25 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 :: 9.451 HA :: 4.664 HB2 :: 2.511 HB3 :: 2.430 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 :: 118.18 Ave N Shift Values>> N :: 120.65(3.86) 1.G92 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.88 L 0.08 C Shift Assignments>> C :: 174.52 CA :: 45.52 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 6.905 HA2 :: 3.451 HA3 :: 1.603(S) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.81 Ave N Shift Values>> N :: 109.67(3.87) 1.G93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.04 A 0.02 P 0.02 C Shift Assignments>> C :: 174.10 CA :: 47.39 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.617 HA2 :: 3.776 HA3 :: 3.641 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.10 Ave N Shift Values>> N :: 109.67(3.87) 1.N94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.92 D 0.06 C Shift Assignments>> C :: 176.62 CA :: 51.16 CB :: 37.25 CG :: 177.62 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 :: 7.178 HA :: 5.189 HB2 :: 2.654 HB3 :: 3.006 HD21 :: 7.381 HD22 :: 6.738 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 :: 113.43 ND2 :: 110.01 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.72 R 0.27 C Shift Assignments>> C :: 173.42 CA :: 56.31 CB :: 35.28 CG :: 25.34 CD :: 29.59 CE :: 41.87 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 :: 7.414 HA :: 4.624 HB2 :: 2.201 HB3 :: 1.586 HG2 :: 1.578 HG3 :: 1.217 HD2 :: 1.250 HD3 :: 1.177 HE2 :: 2.678 HE3 :: 2.766 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 :: 117.72 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.01 CA :: 59.51 CB :: 34.97 CG1 :: 22.01 CG2 :: 22.52 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 :: 6.822 HA :: 5.079 HB :: 1.602 HG11 :: 0.915 HG12 :: 0.915 HG13 :: 0.915 HG21 :: 0.740 HG22 :: 0.740 HG23 :: 0.740 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 :: 116.17 Ave N Shift Values>> N :: 121.14(4.54) 1.A97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.92 M 0.04 L 0.02 C Shift Assignments>> C :: 175.42 CA :: 52.39 CB :: 20.19 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.837 HA :: 4.724 HB1 :: 1.291 HB2 :: 1.291 HB3 :: 1.291 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.63 Ave N Shift Values>> N :: 123.23(3.54) 1.N98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.65 D 0.33 C Shift Assignments>> C :: 173.42 CA :: 51.77 CB :: 41.01 CG :: 176.39 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 :: 8.089 HA :: 5.291 HB2 :: 2.505 HB3 :: 2.185 HD21 :: 8.309 HD22 :: 7.054 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 :: 115.59 ND2 :: 119.05 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.78 CA :: 60.57 CB :: 33.87 CG1 :: 20.76 CG2 :: 22.19 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 :: 8.923 HA :: 4.744 HB :: 1.421 HG11 :: 0.727 HG12 :: 0.727 HG13 :: 0.727 HG21 :: 0.402 HG22 :: 0.402 HG23 :: 0.402 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 :: 120.22 Ave N Shift Values>> N :: 121.14(4.54) 1.V100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.90 CA :: 59.82 CB :: 34.17 CG1 :: 22.02 CG2 :: 20.11 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 :: 9.429 HA :: 5.382 HB :: 2.076 HG11 :: 0.900 HG12 :: 0.900 HG13 :: 0.900 HG21 :: 0.939 HG22 :: 0.939 HG23 :: 0.939 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 :: 130.12 Ave N Shift Values>> N :: 121.14(4.54) 1.T101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 A 0.09 C Shift Assignments>> C :: 173.13 CA :: 59.12 CB :: 71.02 CG2 :: 19.29 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 :: 9.348 HA :: 5.733 HB :: 4.167 HG1 :: 5.237 HG21 :: 1.194 HG22 :: 1.194 HG23 :: 1.194 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 :: 115.21 Ave N Shift Values>> N :: 115.42(4.75) 1.L102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.79 G 0.17 R 0.02 C Shift Assignments>> C :: 175.19 CA :: 51.80 CB :: 43.19 CG :: 26.34 CD1 :: 25.18 CD2 :: 25.55 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 :: 9.139 HA :: 4.991 HB2 :: 1.244 HB3 :: 2.057 HG :: 1.598 HD11 :: 0.702 HD12 :: 0.702 HD13 :: 0.702 HD21 :: 0.953 HD22 :: 0.953 HD23 :: 0.953 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 :: 122.04 Ave N Shift Values>> N :: 121.86(3.9) 1.G103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.44 G 0.28 A 0.15 N 0.05 D 0.01 L 0.01 C Shift Assignments>> C :: 174.76 CA :: 48.31 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.442 HA2 :: 4.132 HA3 :: 3.523 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.99 Ave N Shift Values>> N :: 109.67(3.87) 1.G104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.67 L 0.19 R 0.07 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 176.60 CA :: 44.76 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.268 HA2 :: 4.176 HA3 :: 3.302 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 98.20 Ave N Shift Values>> N :: 109.67(3.87) 1.A105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.69 M 0.18 G 0.11 C Shift Assignments>> C :: 177.08 CA :: 49.30 CB :: 15.27 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.318 HA :: 4.287 HB1 :: 1.215 HB2 :: 1.215 HB3 :: 1.215 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 132.89 Ave N Shift Values>> N :: 123.23(3.54) 1.N106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.9 D 0.09 C Shift Assignments>> C :: 177.84 CA :: 56.85 CB :: 38.35 CG :: 172.22 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 :: 6.832 HA :: 3.894 HB2 :: 2.626 HB3 :: 2.481 HD21 :: 7.000 HD22 :: 6.749 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 :: 117.27 ND2 :: 106.21 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 K 0.35 G 0.18 C Shift Assignments>> C :: 176.47 CA :: 57.59 CB :: 29.44 CG :: 29.76 CD :: 43.23 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 :: 8.800 HA :: 4.085 HB2 :: 1.472 HB3 :: 1.795 HG2 :: 1.361 HG3 :: 1.361 HD2 :: 3.214 HD3 :: 3.055 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 :: 114.93 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.L108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.89 A 0.1 HN Overlap>> 1.Q29 1.Q29 C Shift Assignments>> C :: 178.09 CA :: 56.82 CB :: 39.75 CG :: 27.41 CD1 :: 25.31 CD2 :: 21.78 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 :: 7.238 HA :: 4.149 HB2 :: 1.769 HB3 :: 1.528 HG :: 1.494 HD11 :: 0.893 HD12 :: 0.893 HD13 :: 0.893 HD21 :: 0.770 HD22 :: 0.770 HD23 :: 0.770 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 :: 117.51 Ave N Shift Values>> N :: 121.86(3.9) 1.T109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 172.90 CA :: 63.72 CB :: 68.81 CG2 :: 22.23 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 :: 8.141 HA :: 4.381 HB :: 4.112 HG21 :: 1.130 HG22 :: 1.130 HG23 :: 1.130 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 :: 113.89 Ave N Shift Values>> N :: 115.42(4.75) 1.T110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.7 T 0.28 A 0.01 C Shift Assignments>> C :: 169.66 CA :: 60.01 CB :: 66.62 CG2 :: 19.54 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 :: 7.726 HA :: 4.524 HB :: 4.112 HG21 :: 1.048 HG22 :: 1.048 HG23 :: 1.048 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 :: 114.67 Ave N Shift Values>> N :: 115.42(4.75) 1.G111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.44 L 0.27 R 0.17 F 0.03 D 0.03 Y 0.01 C Shift Assignments>> C :: 172.51 CA :: 44.34 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.094 HA2 :: 4.220 HA3 :: 3.484 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.29 Ave N Shift Values>> N :: 109.67(3.87) 1.K112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.91 R 0.06 C Shift Assignments>> C :: 174.04 CA :: 54.39 CB :: 35.02 CG :: 24.72 CD :: 29.01 CE :: 41.56 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 :: 7.807 HA :: 4.388 HB2 :: 1.507 HB3 :: 1.582 HG2 :: 1.264 HG3 :: 1.167 HD2 :: 1.531 HD3 :: 1.531 HE2 :: 2.676 HE3 :: 2.827 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 :: 119.96 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 M 0.19 C Shift Assignments>> C :: 175.30 CA :: 49.93 CB :: 15.99 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.446 HA :: 2.918 HB1 :: 0.627 HB2 :: 0.627 HB3 :: 0.627 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.08 Ave N Shift Values>> N :: 123.23(3.54) 1.L114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.6 L 0.39 C Shift Assignments>> CA :: 52.58 CB :: 40.26 CG :: 25.44 CD1 :: 27.34 CD2 :: 22.27 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 :: 6.136 HA :: 4.282 HB2 :: 1.576 HB3 :: 1.769 HG :: 1.749 HD11 :: 0.869 HD12 :: 0.869 HD13 :: 0.869 HD21 :: 0.820 HD22 :: 0.820 HD23 :: 0.820 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 :: 127.51 Ave N Shift Values>> N :: 121.86(3.9) 1.P115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.23 CA :: 64.70 CB :: 32.07 CG :: 26.81 CD :: 50.76 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.358 HB2 :: 2.144 HB3 :: 2.144 HG2 :: 2.184 HG3 :: 2.068 HD2 :: 3.890 HD3 :: 3.996 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.G116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.35 L 0.31 G 0.17 D 0.05 F 0.05 Y 0.02 K 0.01 C Shift Assignments>> C :: 174.86 CA :: 43.78 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.555 HA2 :: 3.758 HA3 :: 4.687 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.77 Ave N Shift Values>> N :: 109.67(3.87) 1.T117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.18 CA :: 60.60 CB :: 68.32 CG2 :: 21.37 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 :: 7.850 HA :: 4.303 HB :: 4.444 HG21 :: 0.993 HG22 :: 0.993 HG23 :: 0.993 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 :: 107.44 Ave N Shift Values>> N :: 115.42(4.75) 1.D118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.41 D 0.37 L 0.12 F 0.03 Y 0.02 K 0.01 C Shift Assignments>> CA :: 50.40 CB :: 40.76 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 :: 8.968 HA :: 5.052 HB2 :: 2.281 HB3 :: 3.407 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 :: 125.36 Ave N Shift Values>> N :: 120.65(3.86) 1.P119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.31 CA :: 63.59 CB :: 31.85 CG :: 26.51 CD :: 50.61 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.212 HB2 :: 1.877 HB3 :: 2.259 HG2 :: 1.895 HG3 :: 1.984 HD2 :: 3.968 HD3 :: 4.054 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.N120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.68 D 0.31 C Shift Assignments>> C :: 174.85 CA :: 53.20 CB :: 39.48 CG :: 177.05 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 :: 8.216 HA :: 4.657 HB2 :: 2.685 HB3 :: 2.820 HD21 :: 7.819 HD22 :: 6.968 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 :: 113.68 ND2 :: 114.46 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.91 E 0.08 C Shift Assignments>> C :: 173.01 CA :: 55.42 CB :: 30.22 CG :: 33.09 CD :: 180.60 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 :: 7.272 HA :: 4.361 HB2 :: 1.843 HB3 :: 1.696 HG2 :: 2.208 HG3 :: 2.105 HE21 :: 7.657 HE22 :: 6.846 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 :: 119.49 NE2 :: 111.99 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.85 R 0.13 C Shift Assignments>> C :: 176.57 CA :: 56.17 CB :: 33.66 CG :: 25.07 CD :: 29.42 CE :: 41.68 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 :: 8.458 HA :: 4.433 HB2 :: 1.690 HB3 :: 1.690 HG2 :: 1.489 HG3 :: 1.489 HD2 :: 1.626 HD3 :: 1.626 HE2 :: 2.976 HE3 :: 2.897 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 :: 127.57 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.93 CA :: 62.69 CB :: 37.35 CG1 :: 27.55 CG2 :: 16.99 CD1 :: 13.94 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 :: 8.032 HA :: 3.841 HB :: 1.652 HG12 :: 1.165 HG13 :: 1.751 HG21 :: 0.124 HG22 :: 0.124 HG23 :: 0.124 HD11 :: 0.759 HD12 :: 0.759 HD13 :: 0.759 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 :: 124.52 Ave N Shift Values>> N :: 121.46(4.28) 1.L124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.41 L 0.32 A 0.25 C Shift Assignments>> C :: 176.24 CA :: 53.34 CB :: 44.17 CG :: 25.57 CD1 :: 22.14 CD2 :: 24.82 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 :: 7.538 HA :: 4.479 HB2 :: 1.940 HB3 :: 0.757 HG :: 1.744 HD11 :: 0.640 HD12 :: 0.640 HD13 :: 0.640 HD21 :: 0.809 HD22 :: 0.809 HD23 :: 0.809 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 :: 124.95 Ave N Shift Values>> N :: 121.86(3.9) 1.Y125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.39 L 0.23 F 0.11 G 0.08 Y 0.06 K 0.05 D 0.04 HN Overlap>> 1.K69 1.K69 C Shift Assignments>> C :: 177.29 CA :: 57.72 CB :: 43.55 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 :: 8.197 HA :: 5.529 HB2 :: 2.864 HB3 :: 2.511 HD1 :: 6.985 HD2 :: 6.985 HE1 :: 6.403 HE2 :: 6.403 HH :: 9.213 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 :: 116.04 Ave N Shift Values>> N :: 120.52(4.2) 1.T126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.26 CA :: 62.26 CB :: 70.36 CG2 :: 19.75 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 :: 8.777 HA :: 5.245 HB :: 4.080 HG1 :: 6.201 HG21 :: 1.085 HG22 :: 1.085 HG23 :: 1.085 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 :: 121.03 Ave N Shift Values>> N :: 115.42(4.75) 1.S127 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.13 CA :: 54.22 CB :: 63.94 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.510 HA :: 5.291 HB2 :: 4.740(S) HB3 :: 3.473 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 :: 121.45 Ave N Shift Values>> N :: 116.28(3.52) 1.I128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.15 CA :: 59.99 CB :: 39.53 CG1 :: 27.41 CG2 :: 17.32 CD1 :: 15.92 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 :: 8.993 HA :: 4.933 HB :: 1.906 HG12 :: 0.758 HG13 :: 1.620 HG21 :: 0.725 HG22 :: 0.725 HG23 :: 0.725 HD11 :: 0.697 HD12 :: 0.697 HD13 :: 0.697 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 :: 126.76 Ave N Shift Values>> N :: 121.46(4.28) 1.Y129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 172.57 CA :: 54.51 CB :: 38.65 CD1 :: 130.84 CD2 :: 130.84 CE1 :: 116.71 CE2 :: 116.71 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 :: 8.541 HA :: 5.100 HB2 :: 3.093 HB3 :: 2.887 HD1 :: 6.956 HD2 :: 6.956 HE1 :: 6.571 HE2 :: 6.571 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 :: 128.08 Ave N Shift Values>> N :: 120.52(4.2) 1.S130 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> P 0.65 S 0.34 C Shift Assignments>> C :: 178.36 CA :: 52.80 CB :: 65.19 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 10.278(S) HA :: 5.369 HB2 :: 3.303 HB3 :: 3.647 HG :: 7.318 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 :: 113.50 Ave N Shift Values>> N :: 116.28(3.52) 1.S131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.13 CA :: 60.05 CB :: 61.38 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.394 HA :: 4.732 HB2 :: 4.253 HB3 :: 4.049 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 :: 127.51 Ave N Shift Values>> N :: 116.28(3.52) 1.A132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.1 C Shift Assignments>> C :: 176.36 CA :: 50.86 CB :: 18.09 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.961 HA :: 4.609 HB1 :: 1.225 HB2 :: 1.225 HB3 :: 1.225 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.16 Ave N Shift Values>> N :: 123.23(3.54) 1.D133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.27 D 0.21 K 0.21 F 0.09 R 0.09 Y 0.06 N 0.02 HN Overlap>> 1.V62 1.V62 C Shift Assignments>> C :: 175.89 CA :: 55.30 CB :: 41.99 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 :: 7.507 HA :: 4.256 HB2 :: 2.724 HB3 :: 3.312 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 :: 120.12 Ave N Shift Values>> N :: 120.65(3.86) 1.M134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.27 R 0.19 P 0.18 I 0.16 K 0.06 Q 0.04 W 0.02 H 0.02 E 0.01 C Shift Assignments>> C :: 174.68 CB :: 26.43 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 :: 8.827 HA :: 4.576 HB2 :: 2.545 HB3 :: 2.066 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) 1.I135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.26 CA :: 60.88 CB :: 36.22 CG1 :: 26.56 CG2 :: 16.15 CD1 :: 9.12 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 :: 9.435 HA :: 3.949 HB :: 1.006 HG12 :: 1.277 HG13 :: 1.277 HG21 :: 0.437 HG22 :: 0.437 HG23 :: 0.437 HD11 :: 0.694 HD12 :: 0.694 HD13 :: 0.694 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 :: 123.36 Ave N Shift Values>> N :: 121.46(4.28) 1.V136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.49 CA :: 60.68 CB :: 32.71 CG1 :: 20.84 CG2 :: 21.97 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 :: 8.081 HA :: 3.855 HB :: 1.630 HG11 :: 0.417 HG12 :: 0.417 HG13 :: 0.417 HG21 :: 0.639 HG22 :: 0.639 HG23 :: 0.639 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 :: 122.56 Ave N Shift Values>> N :: 121.14(4.54) 1.M137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 I 0.14 M 0.06 C Shift Assignments>> C :: 177.25 CA :: 54.98 CB :: 26.63 CE :: 17.50 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 :: 8.423 HA :: 4.281 HB2 :: 1.730 HB3 :: 2.287 HG2 :: 2.498 HG3 :: 2.498 HE1 :: 1.687 HE2 :: 1.687 HE3 :: 1.687 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 :: 125.86 Ave N Shift Values>> N :: 120.09(3.57) 1.N138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.78 D 0.21 C Shift Assignments>> C :: 177.03 CA :: 55.99 CB :: 38.44 CG :: 176.43 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 :: 9.463 HA :: 4.096 HB2 :: 2.661 HB3 :: 2.373 HD21 :: 7.848 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 :: 120.24 ND2 :: 111.80 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Y139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 HN Overlap>> 1.H156 1.H156 C Shift Assignments>> C :: 176.61 CA :: 59.60 CB :: 36.37 CD1 :: 132.62 CD2 :: 132.62 CE1 :: 117.80 CE2 :: 117.80 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 :: 8.379 HA :: 4.044 HB2 :: 2.761 HB3 :: 3.145 HD1 :: 6.927 HD2 :: 6.927 HE1 :: 6.701 HE2 :: 6.701 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 :: 116.61 Ave N Shift Values>> N :: 120.52(4.2) 1.L140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.91 G 0.04 A 0.01 K 0.01 C Shift Assignments>> C :: 177.68 CA :: 55.34 CB :: 42.76 CD1 :: 25.60 CD2 :: 23.74 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 :: 6.886 HA :: 3.668 HB2 :: 1.798 HB3 :: 0.876 HD11 :: 0.745 HD12 :: 0.745 HD13 :: 0.745 HD21 :: 0.594 HD22 :: 0.594 HD23 :: 0.594 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 :: 115.32 Ave N Shift Values>> N :: 121.86(3.9) 1.S141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S167 1.S167 C Shift Assignments>> C :: 176.05 CA :: 58.12 CB :: 64.49 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.185 HA :: 4.598 HB2 :: 3.109 HB3 :: 3.805 HG :: 4.886 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 :: 112.24 Ave N Shift Values>> N :: 116.28(3.52) 1.R142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.74 K 0.21 G 0.02 L 0.01 C Shift Assignments>> C :: 174.75 CA :: 57.18 CB :: 30.09 CG :: 27.27 CD :: 42.42 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 :: 6.723 HA :: 3.847 HB2 :: 1.550 HB3 :: 1.352 HG2 :: 1.260 HG3 :: 1.260 HD2 :: 3.064 HD3 :: 3.024 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 :: 125.50 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.L143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 A 0.08 L 0.05 C Shift Assignments>> C :: 176.86 CA :: 51.75 CB :: 46.70 CG :: 24.59 CD1 :: 23.64 CD2 :: 25.03 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 :: 8.710 HA :: 4.535 HB2 :: 1.274 HB3 :: 0.770 HG :: 1.265 HD11 :: 0.415 HD12 :: 0.415 HD13 :: 0.415 HD21 :: 0.442 HD22 :: 0.442 HD23 :: 0.442 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 :: 124.79 Ave N Shift Values>> N :: 121.86(3.9) 1.D144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.24 F 0.22 N 0.2 D 0.17 L 0.08 I 0.03 E 0.01 M 0.01 C Shift Assignments>> C :: 176.66 CA :: 55.67 CB :: 38.95 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 :: 9.323 HA :: 4.525 HB2 :: 2.645 HB3 :: 2.731 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 :: 126.81 Ave N Shift Values>> N :: 120.65(3.86) 1.G145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 L 0.16 R 0.04 F 0.01 D 0.01 C Shift Assignments>> C :: 173.17 CA :: 44.94 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.927 HA2 :: 4.143 HA3 :: 3.897 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.50 Ave N Shift Values>> N :: 109.67(3.87) 1.A146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 L 0.2 G 0.03 C Shift Assignments>> C :: 176.17 CA :: 49.54 CB :: 22.34 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.085 HA :: 4.629 HB1 :: 1.162 HB2 :: 1.162 HB3 :: 1.162 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 117.68 Ave N Shift Values>> N :: 123.23(3.54) 1.R147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.67 G 0.11 K 0.11 L 0.09 C Shift Assignments>> C :: 173.80 CA :: 55.96 CB :: 29.27 CG :: 26.74 CD :: 43.47 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 :: 7.432 HA :: 4.523 HB2 :: 1.608 HB3 :: 2.422 HG2 :: 1.304 HG3 :: 1.634 HD2 :: 3.069 HD3 :: 3.216 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 :: 118.74 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.N148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.71 D 0.28 C Shift Assignments>> C :: 174.54 CA :: 53.26 CB :: 40.14 CG :: 176.20 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 :: 8.700 HA :: 5.530 HB2 :: 3.294 HB3 :: 2.746 HD21 :: 7.223 HD22 :: 7.556 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 :: 130.32 ND2 :: 115.23 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 171.41 CA :: 61.24 CB :: 33.76 CG1 :: 21.02 CG2 :: 19.83 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 :: 9.452 HA :: 3.950 HB :: 1.778 HG11 :: 0.716 HG12 :: 0.716 HG13 :: 0.716 HG21 :: 0.686 HG22 :: 0.686 HG23 :: 0.686 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 :: 127.09 Ave N Shift Values>> N :: 121.14(4.54) 1.Q150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.83 E 0.14 N 0.01 HN Overlap>> 1.I22 1.I22 C Shift Assignments>> C :: 175.67 CA :: 53.35 CB :: 30.07 CG :: 34.43 CD :: 179.79 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 :: 8.048 HA :: 4.140 HB2 :: 1.984 HB3 :: 1.656 HG2 :: 2.066 HG3 :: 1.709 HE21 :: 7.251 HE22 :: 7.052 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 :: 126.40 NE2 :: 112.67 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.97 A 0.02 C Shift Assignments>> C :: 173.46 CA :: 58.60 CB :: 39.59 CG1 :: 24.96 CG2 :: 16.74 CD1 :: 14.31 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 :: 8.827 HA :: 4.489 HB :: 1.943 HG12 :: 0.979 HG13 :: 0.580 HG21 :: 0.530 HG22 :: 0.530 HG23 :: 0.530 HD11 :: 0.459 HD12 :: 0.459 HD13 :: 0.459 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 :: 122.39 Ave N Shift Values>> N :: 121.46(4.28) 1.H152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.66 W 0.27 Y 0.06 C Shift Assignments>> C :: 177.37 CA :: 54.57 CB :: 33.63 CD2 :: 118.47 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 :: 8.402 HA :: 5.252 HB2 :: 2.726 HB3 :: 3.078 HD2 :: 6.939 HE1 :: 7.646 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 :: 117.16 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.06 C Shift Assignments>> C :: 173.86 CA :: 46.37 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.882 HA2 :: 3.582 HA3 :: 4.114 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.06 Ave N Shift Values>> N :: 109.67(3.87) 1.V154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.65 CA :: 60.95 CB :: 33.93 CG1 :: 21.49 CG2 :: 21.49 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 :: 6.751 HA :: 4.167 HB :: 1.537 HG11 :: 0.900 HG12 :: 0.900 HG13 :: 0.900 HG21 :: 0.900 HG22 :: 0.900 HG23 :: 0.900 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 :: 119.29 Ave N Shift Values>> N :: 121.14(4.54) 1.G155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.32 L 0.31 G 0.21 D 0.05 F 0.04 Y 0.02 K 0.01 C Shift Assignments>> C :: 172.79 CA :: 43.88 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.723 HA2 :: 4.173 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 :: 114.41 Ave N Shift Values>> N :: 109.67(3.87) 1.H156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.2 V 0.19 I 0.15 E 0.09 R 0.08 P 0.08 H 0.07 Q 0.04 K 0.03 M 0.02 HN Overlap>> 1.Y139 1.Y139 C Shift Assignments>> C :: 178.68 CA :: 61.16 CB :: 30.32 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 :: 8.476 HA :: 4.231 HB2 :: 3.542 HB3 :: 3.074 HD2 :: 6.816 HE1 :: 7.741 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 :: 116.63 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.I157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.57 CA :: 61.44 CB :: 36.15 CG1 :: 27.96 CG2 :: 17.48 CD1 :: 10.94 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 :: 8.424 HA :: 3.863 HB :: 1.982 HG12 :: 1.538 HG13 :: 1.590 HG21 :: 0.997 HG22 :: 0.997 HG23 :: 0.997 HD11 :: 0.896 HD12 :: 0.896 HD13 :: 0.896 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 :: 116.90 Ave N Shift Values>> N :: 121.46(4.28) 1.G158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 175.74 CA :: 46.63 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.448 HA2 :: 3.788 HA3 :: 3.649 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.40 Ave N Shift Values>> N :: 109.67(3.87) 1.L159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.79 G 0.16 R 0.03 C Shift Assignments>> C :: 175.89 CA :: 57.08 CB :: 43.49 CG :: 25.54 CD1 :: 25.43 CD2 :: 23.62 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 :: 7.200 HA :: 3.734 HB2 :: 1.591 HB3 :: 1.192 HG :: 2.106 HD11 :: 0.954 HD12 :: 0.954 HD13 :: 0.954 HD21 :: 0.632 HD22 :: 0.632 HD23 :: 0.632 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 :: 120.29 Ave N Shift Values>> N :: 121.86(3.9) 1.L160 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.62 A 0.37 C Shift Assignments>> C :: 176.91 CA :: 54.35 CB :: 40.74 CG :: 26.39 CD1 :: 24.49 CD2 :: 21.39 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 :: 7.308 HA :: 3.629 HB2 :: 1.351 HB3 :: 0.695 HG :: 0.525 HD11 :: 0.143 HD12 :: 0.143 HD13 :: 0.143 HD21 :: -0.302(S) HD22 :: -0.302(S) HD23 :: -0.302(S) 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 :: 112.68 Ave N Shift Values>> N :: 121.86(3.9) 1.Y161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 HN Overlap>> 1.V165 1.V165 C Shift Assignments>> C :: 174.50 CA :: 55.90 CB :: 39.30 CD1 :: 133.26 CD2 :: 133.26 CE1 :: 117.49 CE2 :: 117.49 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 :: 7.354 HA :: 4.614 HB2 :: 2.380 HB3 :: 3.240 HD1 :: 6.977 HD2 :: 6.977 HE1 :: 6.618 HE2 :: 6.618 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 :: 119.68 Ave N Shift Values>> N :: 120.52(4.2) 1.S162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 55.17 CB :: 63.87 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.795 HA :: 4.880 HB2 :: 3.842 HB3 :: 3.305 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 :: 117.34 Ave N Shift Values>> N :: 116.28(3.52) 1.S163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.25 T 0.2 V 0.19 S 0.06 F 0.05 Y 0.05 P 0.05 W 0.04 E 0.01 R 0.01 K 0.01 H 0.01 C Shift Assignments>> CA :: 61.30 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 3.948 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) 1.Q164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.97 E 0.02 C Shift Assignments>> C :: 178.33 CA :: 58.31 CB :: 27.99 CG :: 33.18 CD :: 179.04 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>> HA :: 4.028 HB2 :: 1.965 HB3 :: 1.791 HG2 :: 2.333 HG3 :: 2.084 HE21 :: 6.875 HE22 :: 7.453 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>> NE2 :: 110.38 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.Y161 1.Y161 C Shift Assignments>> C :: 177.19 CA :: 66.09 CB :: 31.01 CG1 :: 22.32 CG2 :: 23.54 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 :: 7.427 HA :: 3.304 HB :: 2.125 HG11 :: 0.986 HG12 :: 0.986 HG13 :: 0.986 HG21 :: 0.914 HG22 :: 0.914 HG23 :: 0.914 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 :: 119.72 Ave N Shift Values>> N :: 121.14(4.54) 1.N166 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Suspicious PRTL>> N 0.88 Q 0.1 C Shift Assignments>> C :: 176.08 CA :: 55.50 CB :: 33.90 CG :: 174.54 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 :: 8.327 HA :: 3.773 HB2 :: 0.351(S) HB3 :: 2.062 HD21 :: 5.873 HD22 :: 6.675 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 :: 119.78 ND2 :: 104.94(S) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S167 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S141 1.S141 C Shift Assignments>> C :: 177.01 CA :: 61.45 CB :: 62.43 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.191 HA :: 4.267 HB2 :: 3.896 HB3 :: 3.896 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 :: 112.25 Ave N Shift Values>> N :: 116.28(3.52) 1.L168 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 R 0.26 G 0.12 A 0.03 C Shift Assignments>> C :: 179.62 CA :: 57.26 CB :: 43.07 CG :: 26.36 CD1 :: 22.21 CD2 :: 26.33 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 :: 7.269 HA :: 4.073 HB2 :: 1.158 HB3 :: 2.066 HG :: 1.772 HD11 :: 0.789 HD12 :: 0.789 HD13 :: 0.789 HD21 :: 0.711 HD22 :: 0.711 HD23 :: 0.711 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 :: 122.63 Ave N Shift Values>> N :: 121.86(3.9) 1.I169 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.38 CA :: 65.75 CB :: 37.23 CG1 :: 28.69 CG2 :: 17.22 CD1 :: 15.16 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 :: 8.659 HA :: 3.464 HB :: 2.062 HG12 :: 0.606 HG13 :: 1.852 HG21 :: 0.644 HG22 :: 0.644 HG23 :: 0.644 HD11 :: 0.826 HD12 :: 0.826 HD13 :: 0.826 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 :: 121.61 Ave N Shift Values>> N :: 121.46(4.28) 1.K170 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.8 R 0.17 G 0.01 C Shift Assignments>> C :: 177.33 CA :: 60.08 CB :: 32.27 CG :: 25.12 CD :: 28.98 CE :: 42.14 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 :: 7.958 HA :: 3.555 HB2 :: 1.974 HB3 :: 2.235 HG2 :: 1.507 HG3 :: 1.689 HD2 :: 1.597 HD3 :: 1.475 HE2 :: 3.145 HE3 :: 3.031 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 :: 119.50 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E171 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.53 I 0.22 K 0.13 Q 0.07 M 0.02 C Shift Assignments>> C :: 180.91 CA :: 59.28 CB :: 29.42 CG :: 36.07 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 :: 7.630 HA :: 4.063 HB2 :: 2.165 HB3 :: 2.031 HG2 :: 2.220 HG3 :: 2.547 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 :: 115.59 Ave N Shift Values>> N :: 120.67(3.48) 1.G172 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.05 A 0.01 C Shift Assignments>> C :: 177.07 CA :: 47.18 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.387 HA2 :: 3.516 HA3 :: 3.603 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.61 Ave N Shift Values>> N :: 109.67(3.87) 1.L173 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.73 A 0.18 R 0.07 C Shift Assignments>> C :: 176.58 CA :: 56.52 CB :: 41.38 CG :: 25.69 CD1 :: 21.93 CD2 :: 26.48 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 :: 8.924 HA :: 4.123 HB2 :: 1.808 HB3 :: 1.932 HG :: 1.754 HD11 :: 0.687 HD12 :: 0.687 HD13 :: 0.687 HD21 :: 0.345 HD22 :: 0.345 HD23 :: 0.345 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 :: 123.39 Ave N Shift Values>> N :: 121.86(3.9) 1.N174 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.9 D 0.09 C Shift Assignments>> C :: 175.81 CA :: 52.05 CB :: 38.15 CG :: 176.65 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 :: 7.733 HA :: 5.185 HB2 :: 2.916 HB3 :: 3.206 HD21 :: 7.404 HD22 :: 7.070 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 :: 116.69 ND2 :: 108.62 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G175 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.08 C Shift Assignments>> C :: 174.77 CA :: 45.55 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.526 HA2 :: 3.710 HA3 :: 4.325 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.68 Ave N Shift Values>> N :: 109.67(3.87) 1.G176 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.09 R 0.01 C Shift Assignments>> C :: 175.30 CA :: 45.39 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.272 HA2 :: 4.231 HA3 :: 3.409 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.95 Ave N Shift Values>> N :: 109.67(3.87) 1.G177 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.64 L 0.21 R 0.08 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 170.68 CA :: 44.69 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.224 HA2 :: 4.124 HA3 :: 3.525 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.76 Ave N Shift Values>> N :: 109.67(3.87) 1.Q178 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.62 E 0.23 N 0.12 D 0.01 C Shift Assignments>> C :: 176.21 CA :: 54.30 CB :: 34.42 CG :: 34.03 CD :: 179.76 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 :: 8.032 HA :: 4.848 HB2 :: 1.926 HB3 :: 2.068 HG2 :: 2.247 HG3 :: 2.417 HE21 :: 7.233 HE22 :: 6.750 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 :: 112.60 NE2 :: 110.41 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N179 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.76 D 0.22 C Shift Assignments>> C :: 175.76 CA :: 53.71 CB :: 38.14 CG :: 177.57 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 :: 8.873 HA :: 4.837 HB2 :: 3.585 HB3 :: 2.875 HD21 :: 8.438 HD22 :: 5.660 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 :: 116.36 ND2 :: 106.88 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T180 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 S 0.01 C Shift Assignments>> C :: 174.67 CA :: 61.12 CB :: 67.87 CG2 :: 21.25 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 :: 8.720 HA :: 4.462 HB :: 4.669 HG21 :: 1.184 HG22 :: 1.184 HG23 :: 1.184 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 :: 115.17 Ave N Shift Values>> N :: 115.42(4.75) 1.N181 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.52 N 0.47 C Shift Assignments>> CA :: 54.96 CB :: 39.33 CG :: 178.07 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 :: 8.240 HA :: 4.495 HB2 :: 2.845 HB3 :: 2.775 HD21 :: 7.920 HD22 :: 7.095 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 :: 124.91 ND2 :: 117.42 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) ########################################################################### Overall Results: #Consistent: 165 #Clerical: 0 #Suspicious: 15 #Anomalous: 0 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 180 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 181 #Suspicious: 0 C Shift Results: #Consistent: 751 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 H Shift Results: #Consistent:1226 #Duplicate: 0 #Unknown: 0 #Suspicious: 28 #Anomalous: 0 N Shift Results: #Consistent: 194 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.M8 HB3 = -0.417(S), Expected = 1.99, Std = 0.3400, ChiSquare = 1.4477e-12 1.L26 HD21 = -0.554(S), Expected = 0.73, Std = 0.2900, ChiSquare = 9.5293e-06 1.L26 HD22 = -0.554(S), Expected = 0.73, Std = 0.2900, ChiSquare = 9.5293e-06 1.L26 HD23 = -0.554(S), Expected = 0.73, Std = 0.2900, ChiSquare = 9.5293e-06 1.V39 HB = 0.448(S), Expected = 1.98, Std = 0.3200, ChiSquare = 1.6887e-06 1.V39 HG11 = -0.071(S), Expected = 0.83, Std = 0.2600, ChiSquare = 5.2947e-04 1.V39 HG12 = -0.071(S), Expected = 0.83, Std = 0.2600, ChiSquare = 5.2947e-04 1.V39 HG13 = -0.071(S), Expected = 0.83, Std = 0.2600, ChiSquare = 5.2947e-04 1.V39 HG21 = -0.202(S), Expected = 0.80, Std = 0.2800, ChiSquare = 3.4548e-04 1.V39 HG22 = -0.202(S), Expected = 0.80, Std = 0.2800, ChiSquare = 3.4548e-04 1.V39 HG23 = -0.202(S), Expected = 0.80, Std = 0.2800, ChiSquare = 3.4548e-04 1.D43 HB2 = 0.956(S), Expected = 2.72, Std = 0.2600, ChiSquare = 1.1640e-11 1.N48 HB2 = 0.758(S), Expected = 2.81, Std = 0.3100, ChiSquare = 3.6077e-11 1.N51 HB3 = 0.938(S), Expected = 2.75, Std = 0.3300, ChiSquare = 3.9987e-08 1.N51 HD21 = 5.581(S), Expected = 7.35, Std = 0.4800, ChiSquare = 2.2833e-04 1.V62 HG21 = -0.370(S), Expected = 0.80, Std = 0.2800, ChiSquare = 2.9335e-05 1.V62 HG22 = -0.370(S), Expected = 0.80, Std = 0.2800, ChiSquare = 2.9335e-05 1.V62 HG23 = -0.370(S), Expected = 0.80, Std = 0.2800, ChiSquare = 2.9335e-05 1.K70 Typing: Mistyped 1.K70 CB = 39.19(S), Expected = 32.79, Std = 1.7800, ChiSquare = 3.2376e-04 1.K70 CD = 32.73(S), Expected = 28.96, Std = 1.0800, ChiSquare = 4.8168e-04 1.D72 HA = 5.703(S), Expected = 4.59, Std = 0.3200, ChiSquare = 5.0493e-04 1.N82 HB2 = 3.848(S), Expected = 2.81, Std = 0.3100, ChiSquare = 8.1283e-04 1.N89 HB3 = 1.437(S), Expected = 2.75, Std = 0.3300, ChiSquare = 6.9268e-05 1.G92 HA3 = 1.603(S), Expected = 3.90, Std = 0.3700, ChiSquare = 5.3626e-10 1.S127 HB2 = 4.740(S), Expected = 3.88, Std = 0.2500, ChiSquare = 5.8171e-04 1.S130 H = 10.278(S), Expected = 8.28, Std = 0.5900, ChiSquare = 7.0806e-04 1.L160 HD21 = -0.302(S), Expected = 0.73, Std = 0.2900, ChiSquare = 3.7281e-04 1.L160 HD22 = -0.302(S), Expected = 0.73, Std = 0.2900, ChiSquare = 3.7281e-04 1.L160 HD23 = -0.302(S), Expected = 0.73, Std = 0.2900, ChiSquare = 3.7281e-04 1.N166 HB2 = 0.351(S), Expected = 2.81, Std = 0.3100, ChiSquare = 2.1520e-15 1.N166 ND2 = 104.94(S), Expected = 112.75, Std = 2.2300, ChiSquare = 4.6136e-04