Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.43 L 0.32 G 0.09 D 0.05 K 0.05 Y 0.03 C Shift Assignments>> C :: 175.0 CA :: 43.4 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.87 HA3 :: 3.83 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.S2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.55 V 0.42 Y 0.01 C Shift Assignments>> C :: 175.0 CB :: 64.5 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.11 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) 1.M3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.62 K 0.15 Q 0.14 R 0.04 E 0.03 C Shift Assignments>> C :: 176.7 CA :: 58.2 CB :: 31.6 CG :: 31.9 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.94 HA :: 4.18 HB2 :: 2.49 HB3 :: 2.17 HG2 :: 2.57 HG3 :: 2.57 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 122.6 Ave N Shift Values>> N :: 120.1(3.88) 1.K4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.54 R 0.42 M 0.02 C Shift Assignments>> C :: 177.3 CA :: 58.2 CB :: 31.6 CG :: 23.9 CD :: 27.9 CE :: 41.7 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.22 HA :: 4.11 HB2 :: 1.76 HB3 :: 1.44 HG2 :: 1.60 HG3 :: 1.60 HE2 :: 3.03 HE3 :: 3.03 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.8 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.35 K 0.34 E 0.15 R 0.11 M 0.02 HN Overlap>> 1.H19 1.H19 C Shift Assignments>> C :: 180.1 CA :: 58.6 CB :: 27.9 CG :: 34.0 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.76 HA :: 4.13 HG2 :: 2.44 HG3 :: 2.44 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.0 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.89 A 0.05 G 0.04 C Shift Assignments>> C :: 180.4 CA :: 57.2 CB :: 42.3 CG :: 25.7 CD1 :: 23.1 CD2 :: 22.0 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.85 HA :: 4.13 HB2 :: 1.44 HB3 :: 1.44 HD11 :: 0.87 HD12 :: 0.87 HD13 :: 0.87 HD21 :: 0.87 HD22 :: 0.87 HD23 :: 0.87 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.4 Ave N Shift Values>> N :: 121.98(4.07) 1.E7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.5 K 0.23 Q 0.19 M 0.05 R 0.01 C Shift Assignments>> C :: 180.4 CA :: 59.6 CB :: 29.3 CG :: 35.3 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.70 HA :: 3.75 HB2 :: 2.25 HB3 :: 2.25 HG2 :: 2.50 HG3 :: 2.18 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 115.7 Ave N Shift Values>> N :: 120.68(3.68) 1.D8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.49 D 0.19 N 0.11 L 0.1 E 0.06 K 0.01 M 0.01 HN Overlap>> 1.V24 1.V24 C Shift Assignments>> C :: 178.9 CA :: 56.8 CB :: 39.1 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.68 HA :: 4.35 HB2 :: 2.86 HB3 :: 2.71 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.2 Ave N Shift Values>> N :: 120.73(4.2) 1.K9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.53 K 0.42 L 0.01 M 0.01 C Shift Assignments>> C :: 179.5 CA :: 57.7 CB :: 30.7 CG :: 23.9 CD :: 27.3 CE :: 41.9 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.91 HA :: 4.19 HB2 :: 1.60 HB3 :: 1.76 HE2 :: 3.06 HE3 :: 3.06 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.7 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.3 CA :: 67.5 CB :: 31.1 CG1 :: 24.4 CG2 :: 20.7 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.46 HA :: 3.38 HB :: 2.25 HG11 :: 1.04 HG12 :: 1.04 HG13 :: 1.04 HG21 :: 0.88 HG22 :: 0.88 HG23 :: 0.88 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.3 Ave N Shift Values>> N :: 121.02(4.96) 1.E11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.48 K 0.26 Q 0.19 M 0.03 R 0.02 C Shift Assignments>> C :: 179.5 CA :: 59.1 CB :: 28.8 CG :: 35.4 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.76 HA :: 3.94 HB2 :: 2.08 HB3 :: 2.08 HG2 :: 2.19 HG3 :: 2.19 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.6 Ave N Shift Values>> N :: 120.68(3.68) 1.E12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.48 K 0.24 Q 0.19 M 0.06 R 0.01 C Shift Assignments>> C :: 179.7 CA :: 58.1 CB :: 29.3 CG :: 35.5 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.15 HA :: 4.43 HB2 :: 2.09 HB3 :: 2.09 HG2 :: 2.41 HG3 :: 2.33 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.2 Ave N Shift Values>> N :: 120.68(3.68) 1.L13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.8 G 0.11 V 0.03 A 0.02 R 0.01 C Shift Assignments>> C :: 179.6 CA :: 57.7 CB :: 42.8 CG :: 27.3 CD1 :: 22.3 CD2 :: 22.3 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.68 HA :: 4.03 HB2 :: 1.28 HB3 :: 1.28 HD11 :: 0.87 HD12 :: 0.87 HD13 :: 0.87 HD21 :: 0.87 HD22 :: 0.87 HD23 :: 0.87 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.8 Ave N Shift Values>> N :: 121.98(4.07) 1.L14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.98 C Shift Assignments>> C :: 180.0 CA :: 57.7 CB :: 41.4 CG :: 25.5 CD1 :: 23.4 CD2 :: 23.4 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.07 HA :: 4.10 HB2 :: 1.92 HB3 :: 1.92 HD11 :: 0.87 HD12 :: 0.87 HD13 :: 0.87 HD21 :: 0.87 HD22 :: 0.87 HD23 :: 0.87 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.3 Ave N Shift Values>> N :: 121.98(4.07) 1.S15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 1 C Shift Assignments>> C :: 177.8 CA :: 61.0 CB :: 62.4 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.80 HA :: 4.10 HB2 :: 4.10 HB3 :: 4.10 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.8 Ave N Shift Values>> N :: 116.3(3.95) 1.K16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.86 M 0.1 G 0.02 K 0.01 C Shift Assignments>> C :: 178.9 CA :: 59.1 CB :: 32.5 CG :: 28.9 CD :: 25.2 CE :: 41.5 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.32 HA :: 4.14 HB2 :: 1.84 HB3 :: 1.68 HG2 :: 1.44 HG3 :: 1.44 HE2 :: 2.94 HE3 :: 2.94 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.7 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.5 D 0.14 N 0.12 E 0.12 L 0.06 M 0.02 HN Overlap>> 1.E21 1.E21 C Shift Assignments>> C :: 177.4 CA :: 56.8 CB :: 38.6 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.84 HA :: 4.34 HB2 :: 3.30 HB3 :: 2.73 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.9 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Y18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.66 E 0.25 V 0.03 M 0.02 K 0.01 C Shift Assignments>> C :: 178.2 CA :: 60.5 CB :: 37.7 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.23 HA :: 4.39 HB2 :: 3.22 HB3 :: 3.22 HD1 :: 7.07 HD2 :: 7.07 HE1 :: 6.82 HE2 :: 6.82 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 120.4 Ave N Shift Values>> N :: 120.79(4.69) 1.H19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.21 R 0.2 Q 0.17 E 0.17 H 0.14 L 0.05 M 0.01 V 0.01 HN Overlap>> 1.Q5 1.Q5 C Shift Assignments>> C :: 178.4 CA :: 59.1 CB :: 28.3 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.87 HA :: 4.37 HB2 :: 3.38 HB3 :: 3.38 HD2 :: 7.23 HE1 :: 8.22 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 117.0 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.L20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 L 0.35 K 0.15 G 0.06 C Shift Assignments>> C :: 178.9 CA :: 57.7 CB :: 43.2 CG :: 26.3 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.60 HA :: 3.99 HB2 :: 1.28 HB3 :: 1.28 HG :: 2.09 HD11 :: 0.94 HD12 :: 0.94 HD13 :: 0.94 HD21 :: 0.94 HD22 :: 0.94 HD23 :: 0.94 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.2 Ave N Shift Values>> N :: 121.98(4.07) 1.E21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.73 K 0.17 Q 0.05 M 0.02 HN Overlap>> 1.N17 1.N17 C Shift Assignments>> C :: 180.5 CA :: 59.6 CB :: 28.8 CG :: 36.4 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.87 HA :: 3.86 HB2 :: 2.25 HB3 :: 2.25 HG2 :: 2.49 HG3 :: 2.25 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.8 Ave N Shift Values>> N :: 120.68(3.68) 1.N22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.28 N 0.25 Y 0.25 M 0.08 D 0.06 K 0.03 L 0.01 C Shift Assignments>> C :: 178.1 CA :: 55.4 CB :: 37.2 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.76 HA :: 4.45 HB2 :: 2.73 HB3 :: 2.81 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.2 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.67 K 0.16 M 0.08 Q 0.07 C Shift Assignments>> C :: 178.3 CA :: 58.2 CB :: 29.7 CG :: 36.3 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.02 HA :: 4.43 HB2 :: 2.09 HB3 :: 2.09 HG2 :: 2.25 HG3 :: 2.16 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 124.0 Ave N Shift Values>> N :: 120.68(3.68) 1.V24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.D8 1.D8 C Shift Assignments>> C :: 177.5 CA :: 67.0 CB :: 31.1 CG1 :: 25.0 CG2 :: 21.0 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.70 HA :: 3.40 HB :: 2.08 HG11 :: 1.04 HG12 :: 1.04 HG13 :: 1.04 HG21 :: 0.88 HG22 :: 0.88 HG23 :: 0.88 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.3 Ave N Shift Values>> N :: 121.02(4.96) 1.A25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.38 C Shift Assignments>> C :: 180.5 CA :: 54.9 CB :: 17.6 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.77 HA :: 4.04 HB1 :: 1.44 HB2 :: 1.44 HB3 :: 1.44 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.0 Ave N Shift Values>> N :: 123.23(3.7) 1.R26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.68 K 0.27 G 0.03 L 0.01 C Shift Assignments>> C :: 178.5 CA :: 59.1 CB :: 30.2 CG :: 26.8 CD :: 42.4 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.92 HA :: 4.00 HB2 :: 1.84 HB3 :: 1.84 HG2 :: 2.17 HG3 :: 2.17 HD2 :: 3.42 HD3 :: 2.99 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.9 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.L27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.7 G 0.24 R 0.03 V 0.01 C Shift Assignments>> C :: 179.2 CA :: 57.7 CB :: 43.7 CG :: 27.3 CD1 :: 23.1 CD2 :: 23.1 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.45 HA :: 3.94 HB2 :: 1.92 HB3 :: 1.28 HD11 :: 0.87 HD12 :: 0.87 HD13 :: 0.87 HD21 :: 0.87 HD22 :: 0.87 HD23 :: 0.87 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.6 Ave N Shift Values>> N :: 121.98(4.07) 1.K28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.53 R 0.44 C Shift Assignments>> C :: 179.5 CA :: 60.5 CB :: 32.1 CG :: 27.1 CD :: 29.2 CE :: 41.4 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.02 HA :: 3.78 HB2 :: 1.76 HB3 :: 1.28 HG2 :: 1.60 HG3 :: 1.60 HE2 :: 2.89 HE3 :: 2.89 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.8 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.7 R 0.26 M 0.03 C Shift Assignments>> C :: 179.3 CA :: 58.2 CB :: 32.1 CG :: 24.7 CD :: 28.4 CE :: 41.2 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.30 HA :: 4.11 HB2 :: 1.92 HB3 :: 1.68 HG2 :: 1.52 HG3 :: 1.52 HE2 :: 3.01 HE3 :: 3.01 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.1 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.83 A 0.08 G 0.07 C Shift Assignments>> C :: 179.1 CA :: 56.8 CB :: 42.3 CG :: 25.0 CD1 :: 22.3 CD2 :: 22.3 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.42 HA :: 4.18 HB2 :: 1.60 HB3 :: 1.60 HG :: 2.09 HD11 :: 0.96 HD12 :: 0.96 HD13 :: 0.96 HD21 :: 0.96 HD22 :: 0.96 HD23 :: 0.96 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.8 Ave N Shift Values>> N :: 121.98(4.07) 1.V31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.5 CA :: 61.9 CB :: 32.1 CG1 :: 21.2 CG2 :: 21.2 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.67 HA :: 4.11 HB :: 2.17 HG11 :: 0.96 HG12 :: 0.96 HG13 :: 0.96 HG21 :: 0.96 HG22 :: 0.96 HG23 :: 0.96 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 113.4 Ave N Shift Values>> N :: 121.02(4.96) 1.G32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.08 R 0.02 C Shift Assignments>> C :: 174.4 CA :: 45.6 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.87 HA2 :: 4.11 HA3 :: 3.86 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.8 Ave N Shift Values>> N :: 109.91(4.29) 1.E33 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 V 0.25 A 0.08 K 0.06 C Shift Assignments>> CA :: 57.2 CB :: 21.6(A) CG :: 35.5 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.83 HA :: 4.21 HG2 :: 2.33 HG3 :: 2.12 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 125.7 Ave N Shift Values>> N :: 120.68(3.68) ########################################################################### Overall Results: #Consistent: 32 #Clerical: 0 #Suspicious: 0 #Anomalous: 0 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 32 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 33 #Suspicious: 0 C Shift Results: #Consistent: 141 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 H Shift Results: #Consistent: 220 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 31 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.E33 Typing: Mistyped 1.E33 CB = 21.6(A), Expected = 30.07, Std = 1.8400, ChiSquare = 4.1593e-06