Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.N1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> N 0.46 D 0.23 Y 0.1 C 0.1 L 0.07 C Shift Assignments>> C :: 175.2 CA :: 53.73 CB :: 39.08 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>> HA :: 4.638 HB2 :: 2.66 HB3 :: 2.731 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) 1.S2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.3 CA :: 58.75 CB :: 64.38 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.186 HA :: 4.495 HB2 :: 3.766 HB3 :: 3.882 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 :: 119.5 Ave N Shift Values>> N :: 116.28(3.52) 1.D3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.26 K 0.17 Y 0.08 N 0.06 C 0.06 R 0.03 C Shift Assignments>> C :: 176.0 CA :: 54.91 CB :: 41.41 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 :: 8.2 HA :: 4.558 HB2 :: 2.542 HB3 :: 2.59 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 :: 126.3 Ave N Shift Values>> N :: 120.65(3.86) 1.S4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.45 CB :: 64.85 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.133 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 :: 118.8 Ave N Shift Values>> N :: 116.28(3.52) 1.E5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.C6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.54 C 0.32 R 0.05 K 0.04 Q 0.01 C Shift Assignments>> C :: 177.1 CA :: 62.3 CB :: 31.98 CG :: 27.9 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 :: 4.311 HB2 :: 1.843 HB3 :: 1.988 HG2 :: 1.557 HD2 :: 2.542 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.L8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.39 R 0.01 C Shift Assignments>> C :: 178.4 CA :: 57.57 CB :: 41.87 CG :: 27.15 CD1 :: 24.66 CD2 :: 24.18 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 :: 8.247 HA :: 3.897 HB2 :: 1.427 HG :: 1.577 HD11 :: 0.7258 HD12 :: 0.7258 HD13 :: 0.7258 HD21 :: 0.6962 HD22 :: 0.6962 HD23 :: 0.6962 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 :: 127.2 Ave N Shift Values>> N :: 121.86(3.9) 1.S9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 59.44 CB :: 62.45 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.878 HA :: 3.993 HB2 :: 3.703 HB3 :: 3.778 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 :: 116.3 Ave N Shift Values>> N :: 116.28(3.52) 1.H10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.15 H 0.14 C 0.13 W 0.12 E 0.12 M 0.11 K 0.09 Q 0.08 V 0.01 C Shift Assignments>> C :: 174.9 CA :: 56.62 CB :: 31.11 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>> HA :: 4.312 HB2 :: 2.44 HB3 :: 3.141 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) 1.D11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.23 D 0.22 Y 0.19 K 0.15 C 0.1 N 0.04 I 0.02 R 0.01 C Shift Assignments>> C :: 177.2 CA :: 56.43 CB :: 40.91 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 :: 7.808 HA :: 4.342 HB2 :: 2.485 HB3 :: 2.57 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 :: 127.5 Ave N Shift Values>> N :: 120.65(3.86) 1.G12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.06 C 0.04 C Shift Assignments>> C :: 174.2 CA :: 46.39 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.478 HA2 :: 3.728 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.4 Ave N Shift Values>> N :: 109.67(3.87) 1.Y13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.55 Y 0.24 C 0.19 C Shift Assignments>> C :: 175.7 CA :: 61.64 CB :: 39.96 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 :: 7.623 HA :: 3.827 HB2 :: 2.736 HB3 :: 2.839 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 :: 124.9 Ave N Shift Values>> N :: 120.52(4.2) 1.C14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.58 D 0.15 C 0.11 Y 0.07 L 0.03 M 0.01 E 0.01 C Shift Assignments>> C :: 173.7 CA :: 53.15 CB :: 38.48 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.506 HA :: 4.181 HB2 :: 2.202 HB3 :: 2.484 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 118.7 Ave N Shift Values>> N :: 120.17(4.64) 1.L15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.25 R 0.08 A 0.07 G 0.02 C Shift Assignments>> C :: 176.5 CA :: 54.63 CB :: 42.54 CG :: 27.69 CD1 :: 25.18 CD2 :: 22.55 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 :: 7.912 HA :: 3.863 HB2 :: 0.5254 HB3 :: 1.28 HG :: 1.374 HD11 :: 0.4644 HD12 :: 0.4644 HD13 :: 0.4644 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 :: 127.7 Ave N Shift Values>> N :: 121.86(3.9) 1.H16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.29 L 0.22 C 0.17 R 0.13 Q 0.04 I 0.04 W 0.03 H 0.02 E 0.01 C Shift Assignments>> C :: 176.0 CA :: 57.35 CB :: 25.58 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 :: 8.475 HA :: 3.726 HB2 :: 1.993 HB3 :: 2.156 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 :: 118.0 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.D17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 C 0.18 D 0.18 N 0.15 L 0.09 I 0.05 E 0.01 C Shift Assignments>> C :: 175.1 CA :: 56.15 CB :: 39.13 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.638 HA :: 4.066 HB2 :: 2.779 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.2 Ave N Shift Values>> N :: 120.65(3.86) 1.G18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.07 C 0.03 C Shift Assignments>> C :: 171.6 CA :: 45.95 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.143 HA2 :: 4.161 HA3 :: 3.259 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.3 Ave N Shift Values>> N :: 109.67(3.87) 1.V19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 V 0.25 I 0.17 E 0.06 Y 0.04 K 0.02 M 0.01 Q 0.01 C Shift Assignments>> C :: 174.8 CA :: 61.67 CB :: 35.26 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 :: 7.902 HA :: 4.184 HB :: 1.881 HG11 :: 0.8774 HG12 :: 0.8774 HG13 :: 0.8774 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 :: 123.4 Ave N Shift Values>> N :: 121.14(4.54) 1.C20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.37 C 0.18 D 0.14 L 0.13 I 0.09 N 0.03 K 0.02 C Shift Assignments>> C :: 173.5 CA :: 57.39 CB :: 40.01 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.85 HA :: 4.937 HB2 :: 3.134 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 133.1 Ave N Shift Values>> N :: 120.17(4.64) 1.M21 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> E 0.37 C 0.36 M 0.21 Q 0.02 K 0.01 C Shift Assignments>> C :: 173.1 CA :: 55.17 CB :: 36.51 CG :: 31.19 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 :: 9.237 HA :: 4.777 HB2 :: 1.858 HB3 :: 1.908 HG2 :: 2.288 HG3 :: 2.358 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 :: 131.9(S) Ave N Shift Values>> N :: 120.09(3.57) 1.Y22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.37 C 0.19 D 0.15 L 0.1 I 0.08 N 0.07 C Shift Assignments>> C :: 174.5 CA :: 56.96 CB :: 39.47 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 :: 8.654 HA :: 4.344 HB2 :: 2.479 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 :: 126.9 Ave N Shift Values>> N :: 120.52(4.2) 1.I23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.51 C 0.47 C Shift Assignments>> C :: 175.8 CA :: 59.17 CB :: 37.01 CG1 :: 26.62 CG2 :: 18.28 CD1 :: 12.7 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 :: 8.26 HA :: 3.864 HB :: 1.614 HG12 :: 0.9671 HG13 :: 1.229 HG21 :: 0.648 HG22 :: 0.648 HG23 :: 0.648 HD11 :: 0.5528 HD12 :: 0.5528 HD13 :: 0.5528 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 :: 133.1 Ave N Shift Values>> N :: 121.46(4.28) 1.E24 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> C 0.39 E 0.29 I 0.18 K 0.06 Q 0.04 M 0.01 C Shift Assignments>> C :: 178.8 CA :: 60.24 CB :: 29.51 CG :: 35.93 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 :: 8.272 HA :: 3.238 HB2 :: 1.797 HB3 :: 1.867 HG2 :: 2.079 HG3 :: 2.203 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 133.5(S) Ave N Shift Values>> N :: 120.67(3.48) 1.A25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.54 M 0.39 C 0.03 I 0.02 C Shift Assignments>> C :: 178.1 CA :: 54.82 CB :: 18.69 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.651 HA :: 3.879 HB1 :: 1.176 HB2 :: 1.176 HB3 :: 1.176 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.7 Ave N Shift Values>> N :: 123.23(3.54) 1.L26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.41 G 0.26 C 0.15 A 0.13 R 0.02 C Shift Assignments>> C :: 175.4 CA :: 53.51 CB :: 44.24 CG :: 26.88 CD1 :: 25.55 CD2 :: 22.23 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 :: 6.356 HA :: 4.262 HB2 :: 1.094 HB3 :: 1.402 HG :: 1.3 HD11 :: 0.694 HD12 :: 0.694 HD13 :: 0.694 HD21 :: 0.6516 HD22 :: 0.6516 HD23 :: 0.6516 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.2 Ave N Shift Values>> N :: 121.86(3.9) 1.D27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 N 0.24 Y 0.15 L 0.15 C 0.1 I 0.01 K 0.01 C Shift Assignments>> C :: 173.4 CA :: 54.77 CB :: 39.85 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 :: 7.678 HA :: 3.82 HB2 :: 2.247 HB3 :: 2.988 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 124.0 Ave N Shift Values>> N :: 120.65(3.86) 1.K28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 K 0.21 R 0.06 G 0.02 A 0.02 C Shift Assignments>> C :: 173.4 CA :: 54.49 CB :: 37.12 CG :: 24.03 CD :: 29.51 CE :: 42.22 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 :: 6.649 HA :: 4.529 HB2 :: 1.432 HB3 :: 1.535 HG2 :: 1.11 HD2 :: 1.527 HE2 :: 2.817 HE3 :: 2.859 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 :: 118.1 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.42 C 0.21 I 0.15 D 0.08 L 0.07 N 0.02 C Shift Assignments>> C :: 175.0 CA :: 57.97 CB :: 39.49 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 :: 8.429 HA :: 4.975 HB2 :: 2.474 HB3 :: 2.596 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 :: 125.2 Ave N Shift Values>> N :: 120.52(4.2) 1.A30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 A 0.21 C 0.17 K 0.05 C Shift Assignments>> C :: 175.6 CA :: 51.01 CB :: 23.3 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.201 HA :: 4.765 HB1 :: 1.254 HB2 :: 1.254 HB3 :: 1.254 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 129.9 Ave N Shift Values>> N :: 123.23(3.54) 1.C31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.35 R 0.29 D 0.13 G 0.06 C 0.04 K 0.04 Y 0.02 C Shift Assignments>> C :: 174.2 CA :: 54.65 CB :: 43.41 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.741 HA :: 5.104 HB2 :: 2.45 HB3 :: 2.683 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 119.3 Ave N Shift Values>> N :: 120.17(4.64) 1.N32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.63 D 0.18 C 0.08 Y 0.04 L 0.04 C Shift Assignments>> C :: 175.5 CA :: 52.14 CB :: 38.92 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 :: 9.379 HA :: 4.897 HB2 :: 2.605 HB3 :: 2.862 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 128.4 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.C33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.43 C 0.16 Y 0.14 D 0.12 E 0.04 L 0.03 M 0.02 I 0.01 C Shift Assignments>> C :: 175.4 CA :: 54.42 CB :: 38.2 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.765 HA :: 4.619 HB2 :: 2.549 HB3 :: 3.167 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 128.6 Ave N Shift Values>> N :: 120.17(4.64) 1.V34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.66 C 0.32 C Shift Assignments>> C :: 175.0 CA :: 62.27 CB :: 32.72 CG1 :: 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 :: 8.55 HA :: 3.93 HB :: 2.002 HG11 :: 1.001 HG12 :: 1.001 HG13 :: 1.001 HG21 :: 0.9329 HG22 :: 0.9329 HG23 :: 0.9329 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 :: 126.3 Ave N Shift Values>> N :: 121.14(4.54) 1.V35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.77 C 0.2 I 0.01 C Shift Assignments>> C :: 174.8 CA :: 64.45 CB :: 31.22 CG1 :: 20.61 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 :: 7.661 HA :: 3.357 HB :: 1.435 HG11 :: 0.5585 HG12 :: 0.5585 HG13 :: 0.5585 HG21 :: 0.3901 HG22 :: 0.3901 HG23 :: 0.3901 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 :: 125.6 Ave N Shift Values>> N :: 121.14(4.54) 1.G36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.58 L 0.22 R 0.1 C 0.04 D 0.02 Y 0.01 C Shift Assignments>> C :: 174.4 CA :: 44.61 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.068 HA2 :: 3.713 HA3 :: 2.761 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.5 Ave N Shift Values>> N :: 109.67(3.87) 1.Y37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 K 0.25 L 0.16 C 0.13 D 0.08 I 0.07 R 0.03 C Shift Assignments>> C :: 174.2 CA :: 58.21 CB :: 41.28 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 :: 8.056 HA :: 5.289 HB2 :: 2.717 HB3 :: 2.835 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 :: 125.7 Ave N Shift Values>> N :: 120.52(4.2) 1.I38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 I 0.28 G 0.14 C Shift Assignments>> C :: 174.7 CA :: 60.3 CB :: 43.3 CG1 :: 26.54 CG2 :: 18.37 CD1 :: 14.07 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 :: 9.143 HA :: 4.708 HB :: 1.939 HG12 :: 1.283 HG21 :: 0.7692 HG22 :: 0.7692 HG23 :: 0.7692 HD11 :: 0.7324 HD12 :: 0.7324 HD13 :: 0.7324 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 :: 120.0 Ave N Shift Values>> N :: 121.46(4.28) 1.G39 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 C 0.04 Y 0.02 K 0.01 C Shift Assignments>> C :: 176.7 CA :: 43.77 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.902 HA2 :: 4.831 HA3 :: 3.827 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.7 Ave N Shift Values>> N :: 109.67(3.87) 1.E40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.3 I 0.23 K 0.04 Q 0.01 M 0.01 C Shift Assignments>> C :: 176.8 CA :: 60.0 CB :: 29.47 CG :: 36.5 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.327 HA :: 4.065 HB2 :: 2.072 HG2 :: 2.265 HG3 :: 2.423 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 :: 127.6 Ave N Shift Values>> N :: 120.67(3.48) 1.R41 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.52 C 0.32 G 0.11 K 0.03 C Shift Assignments>> C :: 175.7 CA :: 54.85 CB :: 30.58 CG :: 26.63 CD :: 43.6 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 :: 8.328 HA :: 4.674 HB2 :: 0.7638(S) HB3 :: 2.099 HG2 :: 1.159 HD2 :: 2.608 HD3 :: 2.698 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 :: 118.7 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.C42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.26 C 0.23 E 0.2 Y 0.11 M 0.1 D 0.02 K 0.02 I 0.01 C Shift Assignments>> C :: 174.9 CA :: 54.67 CB :: 36.88 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.649 HA :: 3.841 HB2 :: 3.003 HB3 :: 3.337 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 116.1 Ave N Shift Values>> N :: 120.17(4.64) 1.Q43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 K 0.3 R 0.19 Q 0.08 M 0.08 C Shift Assignments>> C :: 175.7 CA :: 57.61 CB :: 28.71 CG :: 31.63 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.618 HA :: 3.927 HB2 :: 1.273 HB3 :: 1.623 HG2 :: 1.753 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.0 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Y44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 Y 0.21 L 0.18 N 0.13 C 0.12 K 0.02 I 0.02 C Shift Assignments>> C :: 175.1 CA :: 55.67 CB :: 40.07 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 :: 8.586 HA :: 5.075 HB2 :: 2.524 HB3 :: 3.018 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 :: 125.6 Ave N Shift Values>> N :: 120.52(4.2) 1.R45 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.36 C 0.35 K 0.24 G 0.03 C Shift Assignments>> C :: 176.1 CA :: 56.49 CB :: 31.93 CG :: 28.24 CD :: 43.06 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 :: 8.61 HA :: 4.149 HB2 :: 1.24 HB3 :: 1.416 HG2 :: 0.917 HG3 :: 1.361 HD2 :: 2.22(S) HD3 :: 2.364 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 :: 125.0 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.D46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.39 N 0.27 L 0.17 C 0.06 Y 0.05 K 0.03 C Shift Assignments>> C :: 176.0 CA :: 52.75 CB :: 40.74 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 :: 8.173 HA :: 4.417 HB2 :: 2.06 HB3 :: 2.588 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 :: 126.5 Ave N Shift Values>> N :: 120.65(3.86) 1.L47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.41 R 0.02 C Shift Assignments>> C :: 178.4 CA :: 57.93 CB :: 41.61 CG :: 27.04 CD1 :: 25.14 CD2 :: 23.05 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 :: 8.102 HA :: 3.982 HB2 :: 1.443 HB3 :: 1.586 HG :: 1.579 HD11 :: 0.7825 HD12 :: 0.7825 HD13 :: 0.7825 HD21 :: 0.6656 HD22 :: 0.6656 HD23 :: 0.6656 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 :: 130.0 Ave N Shift Values>> N :: 121.86(3.9) 1.K48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 K 0.49 C Shift Assignments>> C :: 177.8 CA :: 57.91 CB :: 31.68 CG :: 24.67 CD :: 28.75 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 :: 8.038 HA :: 3.891 HB2 :: 1.465 HB3 :: 1.636 HG2 :: 1.197 HD2 :: 1.209 HE2 :: 2.496 HE3 :: 2.541 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 :: 121.9 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.W49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 W 0.17 I 0.12 E 0.11 K 0.08 R 0.08 H 0.07 Q 0.06 V 0.04 M 0.01 C Shift Assignments>> C :: 177.6 CA :: 60.12 CB :: 29.62 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 :: 7.393 HA :: 3.999 HB2 :: 2.958 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 :: 123.5 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.W50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.17 W 0.16 E 0.12 K 0.11 Q 0.1 H 0.09 R 0.09 I 0.08 M 0.02 V 0.01 C Shift Assignments>> C :: 176.8 CA :: 59.12 CB :: 29.32 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 :: 7.359 HA :: 3.925 HB2 :: 2.883 HB3 :: 3.039 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 :: 121.4 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.E51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.37 M 0.07 I 0.05 K 0.04 Q 0.03 C Shift Assignments>> C :: 176.3 CA :: 57.75 CB :: 30.26 CG :: 36.46 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>> H :: 7.576 HA :: 4.017 HB2 :: 1.846 HG2 :: 2.02 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 :: 123.2 Ave N Shift Values>> N :: 120.67(3.48) 1.L52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.65 C 0.26 R 0.03 A 0.03 C Shift Assignments>> C :: 176.1 CA :: 55.07 CB :: 42.09 CG :: 26.74 CD1 :: 25.32 CD2 :: 23.2 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 :: 7.391 HA :: 4.147 HB2 :: 1.403 HD11 :: 0.6991 HD12 :: 0.6991 HD13 :: 0.6991 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 :: 124.2 Ave N Shift Values>> N :: 121.86(3.9) 1.R53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.17 K 0.14 M 0.14 R 0.13 H 0.11 W 0.11 E 0.09 Q 0.05 V 0.03 C Shift Assignments>> CA :: 57.57 CB :: 31.93 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 :: 7.332 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 :: 130.0 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) ########################################################################### Overall Results: #Consistent: 49 #Clerical: 0 #Suspicious: 4 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 51 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 2 Shift Relative Order (SRO) Results: #Consistent: 53 #Suspicious: 0 C Shift Results: #Consistent: 184 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 260 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 N Shift Results: #Consistent: 46 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 Error Summary: 1.M21 N = 131.9(S), Expected = 120.09, Std = 3.5700, ChiSquare = 9.3923e-04 1.E24 N = 133.5(S), Expected = 120.67, Std = 3.4800, ChiSquare = 2.2711e-04 1.R41 HB2 = 0.7638(S), Expected = 1.79, Std = 0.2700, ChiSquare = 1.4426e-04 1.R45 HD2 = 2.22(S), Expected = 3.12, Std = 0.2400, ChiSquare = 1.7683e-04