Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.S1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G2 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> L 0.38 R 0.2 K 0.17 D 0.12 Y 0.05 I 0.02 G 0.01 C Shift Assignments>> CA :: 42.546(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) 1.S3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> CA :: 55.210(D) CB :: 62.315(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.130(D) 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 :: 115.160(D) Ave N Shift Values>> N :: 116.28(3.52) 1.M4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.81 Q 0.14 K 0.03 C Shift Assignments>> CA :: 52.166(D) CB :: 32.422(D) CG :: 31.526 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 :: 8.878(D) HA :: 4.570 HB2 :: 1.889 HB3 :: 1.889 HG2 :: 2.334 HG3 :: 2.334 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 :: 122.415(D) Ave N Shift Values>> N :: 120.09(3.57) 1.K5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.75 R 0.2 G 0.02 A 0.01 C Shift Assignments>> CA :: 52.529(D) CB :: 30.447(D) CG :: 24.799 CD :: 29.195 CE :: 41.908 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 :: 8.321(D) HA :: 4.895 HB2 :: 1.529 HB3 :: 1.532 HG2 :: 1.231 HG3 :: 1.148 HD2 :: 1.447 HD3 :: 1.447 HE2 :: 2.765 HE3 :: 2.765 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 :: 123.489(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.86 G 0.08 R 0.04 C Shift Assignments>> CA :: 51.075(D) CB :: 42.472(D) CG :: 27.278 CD1 :: 25.557 CD2 :: 25.557 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 :: 8.843(D) HA :: 4.595 HB2 :: 1.419 HB3 :: 1.419 HG :: 1.263 HD11 :: 0.666 HD12 :: 0.666 HD13 :: 0.666 HD21 :: 0.681 HD22 :: 0.681 HD23 :: 0.681 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.748(D) Ave N Shift Values>> N :: 121.86(3.9) 1.S7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> CA :: 54.321(D) CB :: 61.539(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.317(D) HA :: 5.226 HB2 :: 3.568 HB3 :: 3.565 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 :: 117.316(D) Ave N Shift Values>> N :: 116.28(3.52) 1.V8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.42 M 0.32 A 0.24 C Shift Assignments>> CA :: 56.829(D) CB :: 32.369(D) CG1 :: 20.556 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 :: 8.833(D) HA :: 4.432 HB :: 1.890 HG11 :: 0.693 HG12 :: 0.693 HG13 :: 0.693 HG21 :: 0.693 HG22 :: 0.693 HG23 :: 0.693 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 :: 122.044(D) Ave N Shift Values>> N :: 121.14(4.54) 1.S9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> CA :: 54.575(D) CB :: 61.206(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.385(D) HA :: 5.098 HB2 :: 3.562 HB3 :: 3.555 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 120.578(D) Ave N Shift Values>> N :: 116.28(3.52) 1.L10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.73 L 0.23 A 0.02 C Shift Assignments>> CA :: 50.038(D) CB :: 43.926(D) CG :: 26.769 CD1 :: 23.735 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 :: 8.562(D) HA :: 4.837 HB2 :: 1.452 HB3 :: 1.452 HG :: 0.792 HD11 :: 0.623 HD12 :: 0.623 HD13 :: 0.623 HD21 :: 0.745 HD22 :: 0.745 HD23 :: 0.745 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 :: 124.964(D) Ave N Shift Values>> N :: 121.86(3.9) 1.S11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> CA :: 54.681(D) CB :: 62.647(D) 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(D) HA :: 4.639 HB2 :: 3.917 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 :: 118.333(D) Ave N Shift Values>> N :: 116.28(3.52) 1.D12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.32 E 0.25 Y 0.19 M 0.1 D 0.04 I 0.02 K 0.02 L 0.01 C Shift Assignments>> CA :: 55.071(D) CB :: 37.165(D) 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 :: 8.547(D) HA :: 4.151 HB2 :: 2.553 HB3 :: 2.362 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 :: 121.318(D) Ave N Shift Values>> N :: 120.65(3.86) 1.D13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.51 Y 0.18 D 0.13 E 0.06 L 0.04 M 0.03 I 0.01 C Shift Assignments>> CA :: 54.455(D) CB :: 38.070(D) 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 :: 8.199(D) HA :: 4.305 HB2 :: 2.481 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.571(D) Ave N Shift Values>> N :: 120.65(3.86) 1.D14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.42 Y 0.22 D 0.2 L 0.07 E 0.02 I 0.02 M 0.01 C Shift Assignments>> CA :: 54.869(D) CB :: 38.628(D) 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 :: 7.694(D) HA :: 4.301 HB2 :: 2.948 HB3 :: 2.948 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 :: 121.009(D) Ave N Shift Values>> N :: 120.65(3.86) 1.V15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.54 P 0.33 V 0.06 W 0.03 C Shift Assignments>> CA :: 64.135(D) CB :: 28.696(D) 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 :: 8.168(D) HA :: 3.322 HB :: 1.981 HG11 :: 0.809 HG12 :: 0.809 HG13 :: 0.809 HG21 :: 0.880 HG22 :: 0.880 HG23 :: 0.880 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.722(D) Ave N Shift Values>> N :: 121.14(4.54) 1.A16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.58 A 0.39 I 0.01 C Shift Assignments>> CA :: 52.633(D) CB :: 14.925(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.747(D) HA :: 4.137 HB1 :: 1.459 HB2 :: 1.459 HB3 :: 1.459 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.455(D) Ave N Shift Values>> N :: 123.23(3.54) 1.I17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 C Shift Assignments>> CA :: 62.229(D) CB :: 34.990(D) CG2 :: 18.222 CD1 :: 13.186 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 :: 7.537(D) HA :: 3.587 HB :: 1.900 HG21 :: 0.718 HG22 :: 0.718 HG23 :: 0.718 HD11 :: 0.737 HD12 :: 0.737 HD13 :: 0.737 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 :: 120.417(D) Ave N Shift Values>> N :: 121.46(4.28) 1.L18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.88 A 0.11 C Shift Assignments>> CA :: 55.436(D) CB :: 39.557(D) CG :: 27.226 CD1 :: 25.862 CD2 :: 22.539 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 :: 7.940(D) HA :: 4.026 HB2 :: 1.278 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 :: 122.505(D) Ave N Shift Values>> N :: 121.86(3.9) 1.D19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.33 E 0.27 M 0.14 Y 0.13 K 0.03 D 0.02 I 0.01 Q 0.01 C Shift Assignments>> CA :: 54.576(D) CB :: 36.737(D) 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 :: 9.233(D) HA :: 4.254 HB2 :: 2.611 HB3 :: 2.458 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.200(D) Ave N Shift Values>> N :: 120.65(3.86) 1.A20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.54 A 0.44 HN Overlap>> 1.A53 1.A53 C Shift Assignments>> CA :: 52.376(D) CB :: 15.019(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.919(D) HA :: 4.106 HB1 :: 1.472 HB2 :: 1.472 HB3 :: 1.472 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.637(D) Ave N Shift Values>> N :: 123.23(3.54) 1.Y21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.33 I 0.16 Y 0.13 V 0.1 M 0.09 K 0.08 Q 0.05 C Shift Assignments>> CA :: 59.599(D) CB :: 35.658(D) 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 :: 8.136(D) HA :: 3.934 HB2 :: 3.046 HD1 :: 6.773 HD2 :: 6.773 HE1 :: 6.593 HE2 :: 6.593 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 :: 121.674(D) Ave N Shift Values>> N :: 120.52(4.2) 1.V22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.96 I 0.03 C Shift Assignments>> CA :: 64.461(D) CB :: 29.307(D) CG1 :: 21.773 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 :: 8.721(D) HA :: 3.295 HB :: 2.132 HG11 :: 0.989 HG12 :: 0.989 HG13 :: 0.989 HG21 :: 0.627 HG22 :: 0.627 HG23 :: 0.627 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 :: 119.191(D) Ave N Shift Values>> N :: 121.14(4.54) 1.K23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.66 R 0.3 G 0.01 C Shift Assignments>> CA :: 56.379(D) CB :: 29.835(D) CG :: 24.749 CD :: 29.241 CE :: 42.071 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 :: 7.570(D) HA :: 4.012 HB2 :: 1.780 HB3 :: 1.780 HG2 :: 1.329 HG3 :: 1.176 HD2 :: 1.568 HE2 :: 3.054 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 :: 117.132(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.45 R 0.37 G 0.14 K 0.02 C Shift Assignments>> CA :: 56.385(D) CB :: 27.273(D) CG :: 27.172 CD :: 43.498 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 :: 7.919(D) HA :: 3.924 HB2 :: 1.749 HG2 :: 1.561 HD2 :: 3.072 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 :: 120.784(D) 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.A25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.75 M 0.15 G 0.08 C Shift Assignments>> CA :: 49.271(D) CB :: 15.744(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.423(D) HA :: 4.070 HB1 :: 0.796 HB2 :: 0.796 HB3 :: 0.796 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.897(D) Ave N Shift Values>> N :: 123.23(3.54) 1.G26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.33 L 0.33 G 0.22 D 0.05 Y 0.02 K 0.01 C Shift Assignments>> CA :: 43.884(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.434(D) HA2 :: 3.779 HA3 :: 3.779 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.117(D) Ave N Shift Values>> N :: 109.67(3.87) 1.L27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.69 D 0.22 L 0.04 Y 0.02 G 0.01 C Shift Assignments>> CA :: 49.558(D) CB :: 39.588(D) 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 :: 7.941(D) HA :: 4.448 HB2 :: 1.764 HG :: 1.612 HD11 :: 0.333 HD12 :: 0.333 HD13 :: 0.333 HD21 :: 0.634 HD22 :: 0.634 HD23 :: 0.634 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 :: 118.612(D) Ave N Shift Values>> N :: 121.86(3.9) 1.P28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.27 W 0.2 V 0.13 E 0.08 R 0.06 H 0.06 K 0.05 P 0.05 Q 0.04 M 0.01 C Shift Assignments>> CA :: 61.393 CB :: 29.762 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 :: 4.357 HB2 :: 1.974 HG2 :: 1.805 HD2 :: 3.654 HD3 :: 3.355 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.S29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.96 P 0.03 C Shift Assignments>> CA :: 53.818(D) CB :: 63.593(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 6.735(D) HA :: 4.708 HB2 :: 3.862 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 :: 108.734(D) Ave N Shift Values>> N :: 116.28(3.52) 1.R30 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Duplicate PRTL>> R 0.55 G 0.33 L 0.06 K 0.03 C Shift Assignments>> CA :: 57.895 CB :: 28.190 CG :: 28.708 CD :: 43.757 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 :: 9.064 HA :: 3.956 HG2 :: 1.516 HD2 :: 3.142 HE :: 9.803(S) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.948 NE :: 85.146(D) 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.S31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.24 V 0.21 T 0.18 S 0.18 I 0.14 Y 0.01 C Shift Assignments>> CB :: 63.205 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.393(D) HA :: 4.187 HB2 :: 3.901 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.964(D) Ave N Shift Values>> N :: 116.28(3.52) 1.A32 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.75 L 0.17 R 0.04 D 0.01 C Shift Assignments>> CA :: 44.900(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.587(D) HA2 :: 3.619 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.105(D) Ave N Shift Values>> N :: 109.67(3.87) 1.L34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.91 R 0.07 HN Overlap>> 1.W57 1.W57 C Shift Assignments>> CA :: 57.394 CB :: 41.703 CG :: 26.986 CD1 :: 25.764 CD2 :: 24.351 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 :: 8.028(D) HA :: 4.047 HB2 :: 1.355 HG :: 1.269 HD11 :: 0.696 HD12 :: 0.696 HD13 :: 0.696 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 :: 121.409(D) Ave N Shift Values>> N :: 121.86(3.9) 1.Q35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.67 Q 0.17 R 0.07 I 0.03 E 0.03 C Shift Assignments>> CA :: 57.218(D) CB :: 25.469(D) CG :: 34.559 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 :: 8.008(D) HA :: 3.742 HG2 :: 2.529 HG3 :: 2.310 HE21 :: 7.900(D) HE22 :: 6.783(D) 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 :: 118.207(D) NE2 :: 112.235(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.H36 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A37 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.I38 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R39 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V40 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L41 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> R 0.79 G 0.13 K 0.05 L 0.01 C Shift Assignments>> CA :: 56.053(D) CB :: 30.142 CG :: 27.241 CD :: 43.512 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) 1.Y43 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A44 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> I 0.25 T 0.25 V 0.23 P 0.09 S 0.05 Y 0.03 W 0.02 C Shift Assignments>> CA :: 61.875 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) 1.L46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> L 0.9 A 0.09 C Shift Assignments>> CA :: 52.185(D) CB :: 40.083(D) CG :: 26.865 CD1 :: 25.246 CD2 :: 23.362 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) 1.E47 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D48 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> D 0.36 L 0.26 K 0.12 N 0.11 Y 0.1 R 0.01 C Shift Assignments>> CA :: 54.633 CB :: 41.051 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) 1.Y50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.45 I 0.28 E 0.17 M 0.03 D 0.01 N 0.01 L 0.01 C Shift Assignments>> CA :: 58.604 CB :: 37.834 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 :: 7.789(D) 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 :: 120.073(D) Ave N Shift Values>> N :: 120.52(4.2) 1.A51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.72 M 0.26 C Shift Assignments>> CA :: 53.714 CB :: 18.617 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.032(D) HA :: 4.023 HB1 :: 1.281 HB2 :: 1.281 HB3 :: 1.281 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.963(D) Ave N Shift Values>> N :: 123.23(3.54) 1.N52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.51 D 0.22 Y 0.14 L 0.07 E 0.01 M 0.01 I 0.01 C Shift Assignments>> CA :: 54.127 CB :: 38.782 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 :: 8.072(D) HA :: 4.482 HB2 :: 2.644 HB3 :: 2.644 HD21 :: 7.645(D) HD22 :: 6.845(D) 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 :: 116.491(D) ND2 :: 113.372(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.72 M 0.26 HN Overlap>> 1.A20 1.A20 C Shift Assignments>> CA :: 53.722 CB :: 18.647 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.920(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.620(D) Ave N Shift Values>> N :: 123.23(3.54) 1.W54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.18 K 0.16 E 0.15 Q 0.13 H 0.12 R 0.11 I 0.07 M 0.02 V 0.01 C Shift Assignments>> CA :: 58.519 CB :: 29.176 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 :: 7.902(D) HA :: 4.262 HB2 :: 3.158 HB3 :: 3.161 HE1 :: 9.921(D) 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 :: 118.485(D) NE1 :: 128.674(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.Q55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.38 K 0.38 R 0.08 M 0.07 E 0.06 C Shift Assignments>> CA :: 57.106 CB :: 28.955 CG :: 33.494 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 :: 7.728(D) HA :: 3.957 HB2 :: 1.845 HB3 :: 1.845 HG2 :: 2.084 HG3 :: 2.084 HE21 :: 7.281(D) HE22 :: 6.718(D) 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 :: 120.677(D) NE2 :: 111.326(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E56 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.W57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.17 E 0.16 Q 0.14 H 0.14 K 0.13 R 0.13 M 0.04 I 0.03 HN Overlap>> 1.L34 1.L34 C Shift Assignments>> CA :: 57.729 CB :: 29.597 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 :: 8.029(D) HA :: 4.275 HB2 :: 3.138 HB3 :: 3.138 HE1 :: 9.877(D) 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 :: 121.454(D) NE1 :: 129.043(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.S58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> CA :: 58.444 CB :: 63.607 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.951(D) 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 :: 116.246(D) Ave N Shift Values>> N :: 116.28(3.52) 1.A59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> A 0.87 M 0.11 C Shift Assignments>> CA :: 52.621 CB :: 19.066 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) 1.A60 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.38 R 0.2 K 0.17 D 0.12 Y 0.05 I 0.02 G 0.01 C Shift Assignments>> CA :: 42.545(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.963(D) HA2 :: 3.776 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.124(D) Ave N Shift Values>> N :: 109.67(3.87) 1.D62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.78 D 0.13 Y 0.04 L 0.02 HN Overlap>> 1.D76 1.D76 C Shift Assignments>> CA :: 51.595(D) CB :: 38.408(D) 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 :: 8.129(D) HA :: 4.555 HB2 :: 2.640 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 :: 120.552(D) Ave N Shift Values>> N :: 120.65(3.86) 1.T63 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.75 S 0.23 C Shift Assignments>> CA :: 59.455(D) CB :: 67.038(D) CG2 :: 21.456 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 :: 8.016(D) HA :: 4.156 HB :: 4.359 HG21 :: 1.053 HG22 :: 1.053 HG23 :: 1.053 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 :: 113.857(D) Ave N Shift Values>> N :: 115.42(4.75) 1.D64 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.76 D 0.13 Y 0.05 L 0.02 M 0.01 C Shift Assignments>> CA :: 52.017(D) CB :: 38.377(D) 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 :: 8.251(D) HA :: 4.480 HB2 :: 2.510 HB3 :: 2.494 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 :: 122.587(D) Ave N Shift Values>> N :: 120.65(3.86) 1.A65 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.81 M 0.17 C Shift Assignments>> CA :: 49.984(D) CB :: 16.282(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.003(D) HA :: 4.173 HB1 :: 1.201 HB2 :: 1.201 HB3 :: 1.201 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.715(D) Ave N Shift Values>> N :: 123.23(3.54) 1.W66 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.37 R 0.26 Q 0.11 H 0.07 K 0.06 W 0.05 E 0.03 I 0.01 C Shift Assignments>> CA :: 54.806(D) CB :: 26.753(D) 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 :: 7.958(D) HA :: 4.516 HB2 :: 3.187 HB3 :: 3.505 HD1 :: 7.166 HE1 :: 10.030(D) HZ2 :: 7.345 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 :: 120.042(D) NE1 :: 129.376(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.E67 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.49 Q 0.2 K 0.17 I 0.05 R 0.04 L 0.01 C Shift Assignments>> CA :: 53.914(D) CB :: 27.540(D) CG :: 36.090 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 :: 8.067(D) HA :: 4.043 HB2 :: 1.874 HB3 :: 1.745 HG2 :: 2.005 HG3 :: 2.005 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 :: 122.143(D) Ave N Shift Values>> N :: 120.67(3.48) 1.Q68 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.74 K 0.15 P 0.04 M 0.02 Q 0.02 C Shift Assignments>> CA :: 53.171(D) CB :: 26.678(D) CG :: 31.017(D) 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 :: 8.124(D) HA :: 4.200 HB2 :: 1.987 HB3 :: 1.877 HG2 :: 2.237 HG3 :: 2.241 HE21 :: 7.443(D) HE22 :: 6.760(D) 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 :: 121.003(D) NE2 :: 111.909(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T69 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.79 S 0.2 C Shift Assignments>> CA :: 59.330(D) CB :: 67.149(D) CG2 :: 21.623 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 :: 8.150(D) HA :: 4.257 HB :: 4.099 HG21 :: 1.100 HG22 :: 1.100 HG23 :: 1.100 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.216(D) Ave N Shift Values>> N :: 115.42(4.75) 1.V70 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 C Shift Assignments>> CA :: 59.670(D) CB :: 30.054(D) CG1 :: 20.678 CG2 :: 20.937 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 :: 8.116(D) HA :: 4.042 HB :: 1.959 HG11 :: 0.839 HG12 :: 0.839 HG13 :: 0.839 HG21 :: 0.839 HG22 :: 0.839 HG23 :: 0.839 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 :: 122.394(D) Ave N Shift Values>> N :: 121.14(4.54) 1.G71 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.38 R 0.19 K 0.18 D 0.13 Y 0.05 I 0.02 G 0.01 N 0.01 C Shift Assignments>> CA :: 42.504(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.324(D) HA2 :: 3.891 HA3 :: 3.891 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.374(D) Ave N Shift Values>> N :: 109.67(3.87) 1.D72 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.76 D 0.14 Y 0.04 L 0.02 C Shift Assignments>> CA :: 51.703(D) CB :: 38.510(D) 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 :: 8.216(D) 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 :: 120.407(D) Ave N Shift Values>> N :: 120.65(3.86) 1.G73 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.36 R 0.28 K 0.13 D 0.11 Y 0.05 G 0.02 I 0.01 C Shift Assignments>> CA :: 42.732(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.392(D) HA2 :: 3.878 HA3 :: 3.878 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.372(D) Ave N Shift Values>> N :: 109.67(3.87) 1.V74 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 C Shift Assignments>> CA :: 59.983(D) CB :: 29.748(D) CG1 :: 21.023 CG2 :: 20.613 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 :: 7.943(D) HA :: 4.022 HB :: 2.037 HG11 :: 0.834 HG12 :: 0.834 HG13 :: 0.834 HG21 :: 0.838 HG22 :: 0.838 HG23 :: 0.838 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 :: 119.211(D) Ave N Shift Values>> N :: 121.14(4.54) 1.G75 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.38 R 0.19 K 0.18 D 0.13 Y 0.05 I 0.02 G 0.01 C Shift Assignments>> CA :: 42.523(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.432(D) HA2 :: 3.879 HA3 :: 3.879 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.158(D) Ave N Shift Values>> N :: 109.67(3.87) 1.D76 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.78 D 0.13 Y 0.03 L 0.02 HN Overlap>> 1.D62 1.D62 C Shift Assignments>> CA :: 51.283(D) CB :: 38.541(D) 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 :: 8.095(D) 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 :: 120.482(D) Ave N Shift Values>> N :: 120.65(3.86) 1.A77 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.92 A 0.06 C Shift Assignments>> CA :: 47.860(D) CB :: 15.490(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.063(D) HA :: 4.474 HB1 :: 1.256 HB2 :: 1.256 HB3 :: 1.256 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.216(D) Ave N Shift Values>> N :: 123.23(3.54) 1.P78 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 60.612(D) CB :: 29.146(D) CG :: 27.328 CD :: 50.427 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 :: 4.295 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.R79 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.19 H 0.17 K 0.17 W 0.12 R 0.11 E 0.1 L 0.04 M 0.04 C Shift Assignments>> CA :: 54.598(D) CB :: 28.869(D) 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 :: 7.935(D) HA :: 4.081 HB2 :: 1.786 HB3 :: 1.741 HG2 :: 1.617 HG3 :: 1.542 HD2 :: 3.098 HD3 :: 3.098 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 :: 126.639(D) 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: 18 #Clerical: 60 #Suspicious: 1 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 65 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 14 Shift Relative Order (SRO) Results: #Consistent: 79 #Suspicious: 0 C Shift Results: #Consistent: 71 #Duplicate: 93 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 237 #Duplicate: 67 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 N Shift Results: #Consistent: 1 #Duplicate: 64 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.G2 CA = 42.546(D), Expected = 45.35, Std = 1.3400, ChiSquare = 3.6390e-02 1.S3 CA = 55.210(D), Expected = 58.72, Std = 2.0700, ChiSquare = 8.9952e-02 1.S3 CB = 62.315(D), Expected = 63.80, Std = 1.4800, ChiSquare = 3.1568e-01 1.S3 H = 8.130(D), Expected = 8.28, Std = 0.5900, ChiSquare = 7.9931e-01 1.S3 N = 115.160(D), Expected = 116.28, Std = 3.5200, ChiSquare = 7.5035e-01 1.M4 CA = 52.166(D), Expected = 56.11, Std = 2.2300, ChiSquare = 7.6959e-02 1.M4 CB = 32.422(D), Expected = 32.99, Std = 2.2400, ChiSquare = 7.9983e-01 1.M4 H = 8.878(D), Expected = 8.26, Std = 0.6000, ChiSquare = 3.0301e-01 1.M4 N = 122.415(D), Expected = 120.09, Std = 3.5700, ChiSquare = 5.1488e-01 1.K5 CA = 52.529(D), Expected = 56.95, Std = 2.2000, ChiSquare = 4.4479e-02 1.K5 CB = 30.447(D), Expected = 32.79, Std = 1.7800, ChiSquare = 1.8808e-01 1.K5 H = 8.321(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.2717e-01 1.K5 N = 123.489(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.1766e-01 1.L6 CA = 51.075(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.2859e-02 1.L6 CB = 42.472(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.3133e-01 1.L6 H = 8.843(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.4564e-01 1.L6 N = 125.748(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.1880e-01 1.S7 CA = 54.321(D), Expected = 58.72, Std = 2.0700, ChiSquare = 3.3577e-02 1.S7 CB = 61.539(D), Expected = 63.80, Std = 1.4800, ChiSquare = 1.2659e-01 1.S7 H = 8.317(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.5000e-01 1.S7 N = 117.316(D), Expected = 116.28, Std = 3.5200, ChiSquare = 7.6851e-01 1.V8 CA = 56.829(D), Expected = 62.49, Std = 2.8600, ChiSquare = 4.7774e-02 1.V8 CB = 32.369(D), Expected = 32.73, Std = 1.7900, ChiSquare = 8.4017e-01 1.V8 H = 8.833(D), Expected = 8.29, Std = 0.6700, ChiSquare = 4.1768e-01 1.V8 N = 122.044(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.4217e-01 1.S9 CA = 54.575(D), Expected = 58.72, Std = 2.0700, ChiSquare = 4.5240e-02 1.S9 CB = 61.206(D), Expected = 63.80, Std = 1.4800, ChiSquare = 7.9653e-02 1.S9 H = 8.385(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.5875e-01 1.S9 N = 120.578(D), Expected = 116.28, Std = 3.5200, ChiSquare = 2.2208e-01 1.L10 CA = 50.038(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.7760e-03 1.L10 CB = 43.926(D), Expected = 42.31, Std = 1.8800, ChiSquare = 3.9002e-01 1.L10 H = 8.562(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.0951e-01 1.L10 N = 124.964(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.2609e-01 1.S11 CA = 54.681(D), Expected = 58.72, Std = 2.0700, ChiSquare = 5.1032e-02 1.S11 CB = 62.647(D), Expected = 63.80, Std = 1.4800, ChiSquare = 4.3595e-01 1.S11 H = 9.394(D), Expected = 8.28, Std = 0.5900, ChiSquare = 5.9008e-02 1.S11 N = 118.333(D), Expected = 116.28, Std = 3.5200, ChiSquare = 5.5973e-01 1.D12 CA = 55.071(D), Expected = 54.69, Std = 2.0300, ChiSquare = 8.5112e-01 1.D12 CB = 37.165(D), Expected = 40.88, Std = 1.6200, ChiSquare = 2.1836e-02 1.D12 H = 8.547(D), Expected = 8.31, Std = 0.5800, ChiSquare = 6.8282e-01 1.D12 N = 121.318(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.6261e-01 1.D13 CA = 54.455(D), Expected = 54.69, Std = 2.0300, ChiSquare = 9.0784e-01 1.D13 CB = 38.070(D), Expected = 40.88, Std = 1.6200, ChiSquare = 8.2817e-02 1.D13 H = 8.199(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.4823e-01 1.D13 N = 119.571(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.7984e-01 1.D14 CA = 54.869(D), Expected = 54.69, Std = 2.0300, ChiSquare = 9.2974e-01 1.D14 CB = 38.628(D), Expected = 40.88, Std = 1.6200, ChiSquare = 1.6449e-01 1.D14 H = 7.694(D), Expected = 8.31, Std = 0.5800, ChiSquare = 2.8820e-01 1.D14 N = 121.009(D), Expected = 120.65, Std = 3.8600, ChiSquare = 9.2590e-01 1.V15 CA = 64.135(D), Expected = 62.49, Std = 2.8600, ChiSquare = 5.6517e-01 1.V15 CB = 28.696(D), Expected = 32.73, Std = 1.7900, ChiSquare = 2.4219e-02 1.V15 H = 8.168(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.5551e-01 1.V15 N = 119.722(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.5479e-01 1.A16 CA = 52.633(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.9790e-01 1.A16 CB = 14.925(D), Expected = 19.01, Std = 1.8300, ChiSquare = 2.5599e-02 1.A16 H = 7.747(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.5025e-01 1.A16 N = 121.455(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.1608e-01 1.I17 CA = 62.229(D), Expected = 61.61, Std = 2.6800, ChiSquare = 8.1734e-01 1.I17 CB = 34.990(D), Expected = 38.63, Std = 2.0200, ChiSquare = 7.1549e-02 1.I17 H = 7.537(D), Expected = 8.28, Std = 0.6800, ChiSquare = 2.7455e-01 1.I17 N = 120.417(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.0747e-01 1.L18 CA = 55.436(D), Expected = 55.62, Std = 2.1300, ChiSquare = 9.3116e-01 1.L18 CB = 39.557(D), Expected = 42.31, Std = 1.8800, ChiSquare = 1.4309e-01 1.L18 H = 7.940(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.5549e-01 1.L18 N = 122.505(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.6864e-01 1.D19 CA = 54.576(D), Expected = 54.69, Std = 2.0300, ChiSquare = 9.5522e-01 1.D19 CB = 36.737(D), Expected = 40.88, Std = 1.6200, ChiSquare = 1.0546e-02 1.D19 H = 9.233(D), Expected = 8.31, Std = 0.5800, ChiSquare = 1.1152e-01 1.D19 N = 119.200(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.0718e-01 1.A20 CA = 52.376(D), Expected = 53.14, Std = 1.9800, ChiSquare = 6.9960e-01 1.A20 CB = 15.019(D), Expected = 19.01, Std = 1.8300, ChiSquare = 2.9193e-02 1.A20 H = 7.919(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.3955e-01 1.A20 N = 123.637(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.0847e-01 1.Y21 CA = 59.599(D), Expected = 58.13, Std = 2.5100, ChiSquare = 5.5837e-01 1.Y21 CB = 35.658(D), Expected = 39.32, Std = 2.1600, ChiSquare = 9.0005e-02 1.Y21 H = 8.136(D), Expected = 8.32, Std = 0.7300, ChiSquare = 8.0100e-01 1.Y21 N = 121.674(D), Expected = 120.52, Std = 4.2000, ChiSquare = 7.8350e-01 1.V22 CA = 64.461(D), Expected = 62.49, Std = 2.8600, ChiSquare = 4.9072e-01 1.V22 CB = 29.307(D), Expected = 32.73, Std = 1.7900, ChiSquare = 5.5839e-02 1.V22 H = 8.721(D), Expected = 8.29, Std = 0.6700, ChiSquare = 5.2004e-01 1.V22 N = 119.191(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.6771e-01 1.K23 CA = 56.379(D), Expected = 56.95, Std = 2.2000, ChiSquare = 7.9521e-01 1.K23 CB = 29.835(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.6892e-02 1.K23 H = 7.570(D), Expected = 8.19, Std = 0.6000, ChiSquare = 3.0145e-01 1.K23 N = 117.132(D), Expected = 121.05, Std = 3.7700, ChiSquare = 2.9869e-01 1.R24 CA = 56.385(D), Expected = 56.77, Std = 2.3100, ChiSquare = 8.6763e-01 1.R24 CB = 27.273(D), Expected = 30.70, Std = 1.8300, ChiSquare = 6.1113e-02 1.R24 H = 7.919(D), Expected = 8.24, Std = 0.6100, ChiSquare = 5.9873e-01 1.R24 N = 120.784(D), Expected = 120.80, Std = 3.6800, ChiSquare = 9.9653e-01 1.A25 CA = 49.271(D), Expected = 53.14, Std = 1.9800, ChiSquare = 5.0696e-02 1.A25 CB = 15.744(D), Expected = 19.01, Std = 1.8300, ChiSquare = 7.4310e-02 1.A25 H = 8.423(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.1014e-01 1.A25 N = 118.897(D), Expected = 123.23, Std = 3.5400, ChiSquare = 2.2095e-01 1.G26 CA = 43.884(D), Expected = 45.35, Std = 1.3400, ChiSquare = 2.7394e-01 1.G26 H = 7.434(D), Expected = 8.33, Std = 0.6500, ChiSquare = 1.6806e-01 1.G26 N = 108.117(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.8820e-01 1.L27 CA = 49.558(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.4271e-03 1.L27 CB = 39.588(D), Expected = 42.31, Std = 1.8800, ChiSquare = 1.4765e-01 1.L27 H = 7.941(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.5660e-01 1.L27 N = 118.612(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.0495e-01 1.S29 CA = 53.818(D), Expected = 58.72, Std = 2.0700, ChiSquare = 1.7879e-02 1.S29 CB = 63.593(D), Expected = 63.80, Std = 1.4800, ChiSquare = 8.8877e-01 1.S29 H = 6.735(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.8280e-03 1.S29 N = 108.734(D), Expected = 116.28, Std = 3.5200, ChiSquare = 3.2053e-02 1.R30 HE = 9.803(S), Expected = 7.40, Std = 0.6300, ChiSquare = 1.3658e-04 1.R30 NE = 85.146(D), Expected = 84.63, Std = 1.6800, ChiSquare = 7.5873e-01 1.S31 H = 8.393(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.4811e-01 1.S31 N = 114.964(D), Expected = 116.28, Std = 3.5200, ChiSquare = 7.0851e-01 1.G33 CA = 44.900(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.3701e-01 1.G33 H = 7.587(D), Expected = 8.33, Std = 0.6500, ChiSquare = 2.5301e-01 1.G33 N = 104.105(D), Expected = 109.67, Std = 3.8700, ChiSquare = 1.5044e-01 1.L34 H = 8.028(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.5598e-01 1.L34 N = 121.409(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.0794e-01 1.Q35 CA = 57.218(D), Expected = 56.57, Std = 2.1400, ChiSquare = 7.6204e-01 1.Q35 CB = 25.469(D), Expected = 29.19, Std = 1.8200, ChiSquare = 4.0904e-02 1.Q35 H = 8.008(D), Expected = 8.22, Std = 0.5900, ChiSquare = 7.1935e-01 1.Q35 HE21 = 7.900(D), Expected = 7.24, Std = 0.4500, ChiSquare = 1.4247e-01 1.Q35 HE22 = 6.783(D), Expected = 7.02, Std = 0.4400, ChiSquare = 5.9014e-01 1.Q35 N = 118.207(D), Expected = 119.89, Std = 3.6000, ChiSquare = 6.4014e-01 1.Q35 NE2 = 112.235(D), Expected = 111.87, Std = 1.7200, ChiSquare = 8.3194e-01 1.R42 CA = 56.053(D), Expected = 56.77, Std = 2.3100, ChiSquare = 7.5626e-01 1.L46 CA = 52.185(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.0681e-01 1.L46 CB = 40.083(D), Expected = 42.31, Std = 1.8800, ChiSquare = 2.3619e-01 1.Y50 H = 7.789(D), Expected = 8.32, Std = 0.7300, ChiSquare = 4.6698e-01 1.Y50 N = 120.073(D), Expected = 120.52, Std = 4.2000, ChiSquare = 9.1524e-01 1.A51 H = 8.032(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.7948e-01 1.A51 N = 122.963(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.3988e-01 1.N52 H = 8.072(D), Expected = 8.34, Std = 0.6300, ChiSquare = 6.7055e-01 1.N52 HD21 = 7.645(D), Expected = 7.35, Std = 0.4800, ChiSquare = 5.3883e-01 1.N52 HD22 = 6.845(D), Expected = 7.14, Std = 0.4900, ChiSquare = 5.4715e-01 1.N52 N = 116.491(D), Expected = 118.93, Std = 4.0300, ChiSquare = 5.4504e-01 1.N52 ND2 = 113.372(D), Expected = 112.75, Std = 2.2300, ChiSquare = 7.8030e-01 1.A53 H = 7.920(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.4074e-01 1.A53 N = 123.620(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.1228e-01 1.W54 H = 7.902(D), Expected = 8.29, Std = 0.7900, ChiSquare = 6.2333e-01 1.W54 HE1 = 9.921(D), Expected = 10.08, Std = 0.6600, ChiSquare = 8.0963e-01 1.W54 N = 118.485(D), Expected = 121.68, Std = 4.1800, ChiSquare = 4.4466e-01 1.W54 NE1 = 128.674(D), Expected = 129.32, Std = 2.1100, ChiSquare = 7.5948e-01 1.Q55 H = 7.728(D), Expected = 8.22, Std = 0.5900, ChiSquare = 4.0434e-01 1.Q55 HE21 = 7.281(D), Expected = 7.24, Std = 0.4500, ChiSquare = 9.2740e-01 1.Q55 HE22 = 6.718(D), Expected = 7.02, Std = 0.4400, ChiSquare = 4.9248e-01 1.Q55 N = 120.677(D), Expected = 119.89, Std = 3.6000, ChiSquare = 8.2695e-01 1.Q55 NE2 = 111.326(D), Expected = 111.87, Std = 1.7200, ChiSquare = 7.5179e-01 1.W57 H = 8.029(D), Expected = 8.29, Std = 0.7900, ChiSquare = 7.4111e-01 1.W57 HE1 = 9.877(D), Expected = 10.08, Std = 0.6600, ChiSquare = 7.5840e-01 1.W57 N = 121.454(D), Expected = 121.68, Std = 4.1800, ChiSquare = 9.5688e-01 1.W57 NE1 = 129.043(D), Expected = 129.32, Std = 2.1100, ChiSquare = 8.9555e-01 1.S58 H = 7.951(D), Expected = 8.28, Std = 0.5900, ChiSquare = 5.7710e-01 1.S58 N = 116.246(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.9229e-01 1.G61 CA = 42.545(D), Expected = 45.35, Std = 1.3400, ChiSquare = 3.6324e-02 1.G61 H = 7.963(D), Expected = 8.33, Std = 0.6500, ChiSquare = 5.7234e-01 1.G61 N = 107.124(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.1061e-01 1.D62 CA = 51.595(D), Expected = 54.69, Std = 2.0300, ChiSquare = 1.2735e-01 1.D62 CB = 38.408(D), Expected = 40.88, Std = 1.6200, ChiSquare = 1.2703e-01 1.D62 H = 8.129(D), Expected = 8.31, Std = 0.5800, ChiSquare = 7.5499e-01 1.D62 N = 120.552(D), Expected = 120.65, Std = 3.8600, ChiSquare = 9.7975e-01 1.T63 CA = 59.455(D), Expected = 62.22, Std = 2.5900, ChiSquare = 2.8572e-01 1.T63 CB = 67.038(D), Expected = 69.73, Std = 1.6300, ChiSquare = 9.8630e-02 1.T63 H = 8.016(D), Expected = 8.24, Std = 0.6200, ChiSquare = 7.1788e-01 1.T63 N = 113.857(D), Expected = 115.42, Std = 4.7500, ChiSquare = 7.4212e-01 1.D64 CA = 52.017(D), Expected = 54.69, Std = 2.0300, ChiSquare = 1.8792e-01 1.D64 CB = 38.377(D), Expected = 40.88, Std = 1.6200, ChiSquare = 1.2233e-01 1.D64 H = 8.251(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.1898e-01 1.D64 N = 122.587(D), Expected = 120.65, Std = 3.8600, ChiSquare = 6.1580e-01 1.A65 CA = 49.984(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.1095e-01 1.A65 CB = 16.282(D), Expected = 19.01, Std = 1.8300, ChiSquare = 1.3604e-01 1.A65 H = 8.003(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.4266e-01 1.A65 N = 123.715(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.9103e-01 1.W66 CA = 54.806(D), Expected = 57.66, Std = 2.5800, ChiSquare = 2.6864e-01 1.W66 CB = 26.753(D), Expected = 30.01, Std = 2.0100, ChiSquare = 1.0515e-01 1.W66 H = 7.958(D), Expected = 8.29, Std = 0.7900, ChiSquare = 6.7430e-01 1.W66 HE1 = 10.030(D), Expected = 10.08, Std = 0.6600, ChiSquare = 9.3961e-01 1.W66 N = 120.042(D), Expected = 121.68, Std = 4.1800, ChiSquare = 6.9516e-01 1.W66 NE1 = 129.376(D), Expected = 129.32, Std = 2.1100, ChiSquare = 9.7883e-01 1.E67 CA = 53.914(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.0317e-01 1.E67 CB = 27.540(D), Expected = 30.01, Std = 1.7200, ChiSquare = 1.5099e-01 1.E67 H = 8.067(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.5577e-01 1.E67 N = 122.143(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.7209e-01 1.Q68 CA = 53.171(D), Expected = 56.57, Std = 2.1400, ChiSquare = 1.1221e-01 1.Q68 CB = 26.678(D), Expected = 29.19, Std = 1.8200, ChiSquare = 1.6752e-01 1.Q68 CG = 31.017(D), Expected = 33.76, Std = 1.1100, ChiSquare = 1.3467e-02 1.Q68 H = 8.124(D), Expected = 8.22, Std = 0.5900, ChiSquare = 8.7075e-01 1.Q68 HE21 = 7.443(D), Expected = 7.24, Std = 0.4500, ChiSquare = 6.5191e-01 1.Q68 HE22 = 6.760(D), Expected = 7.02, Std = 0.4400, ChiSquare = 5.5458e-01 1.Q68 N = 121.003(D), Expected = 119.89, Std = 3.6000, ChiSquare = 7.5719e-01 1.Q68 NE2 = 111.909(D), Expected = 111.87, Std = 1.7200, ChiSquare = 9.8191e-01 1.T69 CA = 59.330(D), Expected = 62.22, Std = 2.5900, ChiSquare = 2.6449e-01 1.T69 CB = 67.149(D), Expected = 69.73, Std = 1.6300, ChiSquare = 1.1332e-01 1.T69 H = 8.150(D), Expected = 8.24, Std = 0.6200, ChiSquare = 8.8458e-01 1.T69 N = 116.216(D), Expected = 115.42, Std = 4.7500, ChiSquare = 8.6691e-01 1.V70 CA = 59.670(D), Expected = 62.49, Std = 2.8600, ChiSquare = 3.2413e-01 1.V70 CB = 30.054(D), Expected = 32.73, Std = 1.7900, ChiSquare = 1.3492e-01 1.V70 H = 8.116(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.9509e-01 1.V70 N = 122.394(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.8239e-01 1.G71 CA = 42.504(D), Expected = 45.35, Std = 1.3400, ChiSquare = 3.3680e-02 1.G71 H = 8.324(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.9264e-01 1.G71 N = 112.374(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.8473e-01 1.D72 CA = 51.703(D), Expected = 54.69, Std = 2.0300, ChiSquare = 1.4118e-01 1.D72 CB = 38.510(D), Expected = 40.88, Std = 1.6200, ChiSquare = 1.4348e-01 1.D72 H = 8.216(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.7125e-01 1.D72 N = 120.407(D), Expected = 120.65, Std = 3.8600, ChiSquare = 9.4980e-01 1.G73 CA = 42.732(D), Expected = 45.35, Std = 1.3400, ChiSquare = 5.0733e-02 1.G73 H = 8.392(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.2401e-01 1.G73 N = 109.372(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.3862e-01 1.V74 CA = 59.983(D), Expected = 62.49, Std = 2.8600, ChiSquare = 3.8072e-01 1.V74 CB = 29.748(D), Expected = 32.73, Std = 1.7900, ChiSquare = 9.5729e-02 1.V74 H = 7.943(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.0452e-01 1.V74 N = 119.211(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.7092e-01 1.G75 CA = 42.523(D), Expected = 45.35, Std = 1.3400, ChiSquare = 3.4884e-02 1.G75 H = 8.432(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.7531e-01 1.G75 N = 112.158(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.2029e-01 1.D76 CA = 51.283(D), Expected = 54.69, Std = 2.0300, ChiSquare = 9.3284e-02 1.D76 CB = 38.541(D), Expected = 40.88, Std = 1.6200, ChiSquare = 1.4879e-01 1.D76 H = 8.095(D), Expected = 8.31, Std = 0.5800, ChiSquare = 7.1087e-01 1.D76 N = 120.482(D), Expected = 120.65, Std = 3.8600, ChiSquare = 9.6528e-01 1.A77 CA = 47.860(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.6608e-03 1.A77 CB = 15.490(D), Expected = 19.01, Std = 1.8300, ChiSquare = 5.4418e-02 1.A77 H = 8.063(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.1939e-01 1.A77 N = 125.216(D), Expected = 123.23, Std = 3.5400, ChiSquare = 5.7479e-01 1.P78 CA = 60.612(D), Expected = 63.33, Std = 1.5200, ChiSquare = 7.3751e-02 1.P78 CB = 29.146(D), Expected = 31.85, Std = 1.1800, ChiSquare = 2.1933e-02 1.R79 CA = 54.598(D), Expected = 56.77, Std = 2.3100, ChiSquare = 3.4708e-01 1.R79 CB = 28.869(D), Expected = 30.70, Std = 1.8300, ChiSquare = 3.1705e-01 1.R79 H = 7.935(D), Expected = 8.24, Std = 0.6100, ChiSquare = 6.1707e-01 1.R79 N = 126.639(D), Expected = 120.80, Std = 3.6800, ChiSquare = 1.1258e-01