Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> M 0.24 C 0.17 K 0.13 H 0.13 R 0.12 W 0.07 Q 0.06 E 0.04 C Shift Assignments>> C :: 174.638 CA :: 53.544 CB :: 32.185 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) 1.G3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.64 L 0.19 R 0.07 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 170.916 CA :: 44.747(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.941(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.124(D) Ave N Shift Values>> N :: 109.67(3.87) 1.V4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.37 C 0.22 P 0.21 W 0.05 K 0.03 R 0.02 H 0.01 E 0.01 M 0.01 C Shift Assignments>> C :: 177.740 CA :: 61.769(D) CB :: 32.333(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 :: 8.419(D) 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 :: 119.852(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.76 L 0.15 C 0.03 R 0.01 D 0.01 C Shift Assignments>> C :: 175.546 CA :: 53.795(D) CB :: 45.302(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 :: 8.605(D) 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 :: 125.715(D) Ave N Shift Values>> N :: 121.86(3.9) 1.Y6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.28 F 0.23 C 0.19 I 0.09 E 0.05 N 0.04 D 0.04 L 0.02 M 0.01 C Shift Assignments>> C :: 175.014 CA :: 57.312(D) CB :: 38.365(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 :: 8.949(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 :: 119.312(D) Ave N Shift Values>> N :: 120.52(4.2) 1.K7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.25 M 0.2 N 0.16 E 0.14 Q 0.06 K 0.06 Y 0.03 F 0.02 H 0.01 C Shift Assignments>> C :: 175.883 CA :: 53.483(D) CB :: 35.668(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.493(D) 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 :: 123.852(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.W8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.14 C 0.14 Q 0.13 W 0.12 E 0.11 R 0.1 H 0.1 I 0.06 L 0.04 M 0.01 C Shift Assignments>> C :: 175.821 CA :: 57.793 CB :: 28.336 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 :: 8.164(D) HE1 :: 10.018 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 :: 127.394(D) NE1 :: 130.688 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.T9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 171.787 CA :: 60.314 CB :: 68.863 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 6.402(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 121.163(D) Ave N Shift Values>> N :: 115.42(4.75) 1.N10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.65 D 0.14 C 0.08 F 0.03 Y 0.03 L 0.03 C Shift Assignments>> C :: 174.053 CA :: 51.522 CB :: 38.764 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.386(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 :: 115.524(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Y11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.53 C 0.2 Y 0.13 F 0.1 E 0.01 C Shift Assignments>> C :: 174.820 CA :: 62.102(D) CB :: 37.883(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 :: 8.516(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 :: 114.770(D) Ave N Shift Values>> N :: 120.52(4.2) 1.L12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.2 K 0.17 D 0.17 F 0.16 Y 0.13 C 0.07 N 0.02 R 0.02 I 0.01 C Shift Assignments>> C :: 177.733 CA :: 56.367 CB :: 41.240 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 :: 8.198(D) 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 :: 116.491(D) Ave N Shift Values>> N :: 121.86(3.9) 1.T13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 176.036 CA :: 61.490 CB :: 68.629 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.578(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 105.728(D) Ave N Shift Values>> N :: 115.42(4.75) 1.G14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 175.454 CA :: 45.727(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.730(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.315(D) Ave N Shift Values>> N :: 109.67(3.87) 1.W15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.16 K 0.16 H 0.13 W 0.12 E 0.12 C 0.11 R 0.09 M 0.02 L 0.02 I 0.02 C Shift Assignments>> C :: 176.159 CA :: 56.439(D) CB :: 28.803(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 :: 9.002(D) HE1 :: 10.718 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 129.152(D) NE1 :: 132.405 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.Q16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.2 C 0.17 H 0.15 R 0.12 M 0.11 W 0.08 Q 0.07 K 0.03 E 0.03 C Shift Assignments>> CA :: 51.884(D) CB :: 30.667(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 :: 8.827(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 :: 122.401(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.P17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.24 P 0.24 C 0.21 I 0.11 W 0.08 R 0.02 E 0.02 H 0.01 C Shift Assignments>> C :: 176.934 CA :: 62.497(D) CB :: 30.587(D) 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) 1.R18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.27 C 0.2 Q 0.15 K 0.13 H 0.08 R 0.07 W 0.03 P 0.02 E 0.01 C Shift Assignments>> C :: 172.959 CA :: 52.768(D) CB :: 33.189(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 :: 8.977(D) 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 :: 123.726(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.W19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.16 R 0.15 C 0.12 W 0.12 E 0.12 Q 0.11 M 0.1 K 0.07 C Shift Assignments>> C :: 174.624 CA :: 55.729(D) CB :: 30.770(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 :: 8.329(D) HE1 :: 10.122 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 :: 121.698(D) NE1 :: 129.121 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.F20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.24 K 0.2 R 0.17 D 0.12 F 0.1 Y 0.07 C 0.05 C Shift Assignments>> C :: 174.734 CA :: 56.285(D) CB :: 42.398(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.873(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 127.854(D) Ave N Shift Values>> N :: 120.45(4.18) 1.V21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.37 I 0.19 V 0.17 E 0.08 Y 0.05 F 0.02 K 0.02 M 0.02 Q 0.01 C Shift Assignments>> C :: 174.717 CA :: 61.345(D) CB :: 35.513(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 :: 8.949(D) 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 :: 117.576(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.53 L 0.24 R 0.08 D 0.06 C 0.03 F 0.01 C Shift Assignments>> CA :: 52.859(D) CB :: 44.442(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 :: 9.152(D) 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 :: 130.078(D) Ave N Shift Values>> N :: 121.86(3.9) 1.D23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> R 0.4 L 0.28 G 0.07 D 0.06 F 0.05 C 0.03 K 0.03 Y 0.03 C Shift Assignments>> C :: 175.885 CB :: 43.381 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.N24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.4 C 0.18 E 0.1 Y 0.09 F 0.06 M 0.06 D 0.04 K 0.01 L 0.01 C Shift Assignments>> C :: 174.804 CA :: 53.902(D) CB :: 37.176(D) 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 :: 9.115(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 :: 125.377(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.85 L 0.08 C 0.02 R 0.01 C Shift Assignments>> C :: 173.247 CA :: 45.383(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.677(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 102.489(D) Ave N Shift Values>> N :: 109.67(3.87) 1.I26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.28 F 0.23 I 0.21 C 0.19 E 0.02 L 0.01 D 0.01 C Shift Assignments>> C :: 174.811 CA :: 59.143(D) CB :: 38.530(D) 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 :: 7.919(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.640(D) Ave N Shift Values>> N :: 121.46(4.28) 1.L27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.33 R 0.2 G 0.16 D 0.16 C 0.04 F 0.02 K 0.02 Y 0.01 N 0.01 C Shift Assignments>> C :: 174.888 CA :: 52.882(D) CB :: 43.537(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 :: 9.070(D) 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 :: 132.224(D) Ave N Shift Values>> N :: 121.86(3.9) 1.S28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 171.994 CA :: 56.957(D) CB :: 65.708(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.427(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 :: 123.142(D) Ave N Shift Values>> N :: 116.28(3.52) 1.Y29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.27 D 0.24 F 0.13 Y 0.12 L 0.1 C 0.09 C Shift Assignments>> C :: 172.360 CA :: 54.529(D) CB :: 39.470(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 :: 7.539(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 :: 116.555(D) Ave N Shift Values>> N :: 120.52(4.2) 1.Y30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.27 R 0.19 K 0.16 D 0.14 F 0.08 Y 0.05 C 0.05 N 0.01 G 0.01 C Shift Assignments>> C :: 175.664 CA :: 55.671(D) CB :: 42.556(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 :: 8.966(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 :: 117.843(D) Ave N Shift Values>> N :: 120.52(4.2) 1.D31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.29 Y 0.28 C 0.14 I 0.09 L 0.07 D 0.06 N 0.01 K 0.01 C Shift Assignments>> C :: 176.272 CA :: 57.930(D) CB :: 39.883(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 :: 9.417(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 :: 122.080(D) Ave N Shift Values>> N :: 120.65(3.86) 1.S32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 173.707 CA :: 56.871(D) CB :: 65.223(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.393(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 :: 107.442(D) Ave N Shift Values>> N :: 116.28(3.52) 1.Q33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.21 C 0.18 L 0.17 K 0.14 I 0.07 Q 0.07 W 0.05 H 0.04 E 0.02 C Shift Assignments>> C :: 176.976 CA :: 57.701(D) CB :: 26.244(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 :: 8.677(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 :: 123.031(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.24 F 0.17 Y 0.16 N 0.15 L 0.13 C 0.09 I 0.01 K 0.01 C Shift Assignments>> C :: 176.549 CA :: 55.338(D) CB :: 39.888(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 :: 7.640(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 :: 116.731(D) Ave N Shift Values>> N :: 120.65(3.86) 1.D35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.27 D 0.26 K 0.16 R 0.07 F 0.07 Y 0.04 N 0.04 C 0.04 C Shift Assignments>> C :: 177.084 CA :: 54.291(D) CB :: 41.959(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 :: 7.278(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 :: 117.220(D) Ave N Shift Values>> N :: 120.65(3.86) 1.V36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.31 P 0.28 I 0.19 C 0.16 W 0.02 C Shift Assignments>> C :: 178.130 CA :: 64.762(D) CB :: 30.200 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 6.919(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.363(D) Ave N Shift Values>> N :: 121.14(4.54) 1.C37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.2 C 0.2 I 0.16 L 0.1 W 0.08 Q 0.07 K 0.05 H 0.04 E 0.04 C Shift Assignments>> C :: 175.048 CA :: 58.808(D) CB :: 26.786(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.023(D) 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 :: 115.313(D) Ave N Shift Values>> N :: 120.17(4.64) 1.K38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.17 K 0.16 C 0.15 R 0.13 H 0.11 W 0.09 E 0.07 Q 0.06 V 0.01 C Shift Assignments>> C :: 177.005 CA :: 56.433(D) CB :: 32.169(D) 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 :: 7.740(D) 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 :: 121.689(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.34 L 0.3 G 0.15 D 0.05 F 0.04 C 0.04 Y 0.02 K 0.01 C Shift Assignments>> C :: 172.920 CA :: 43.745(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.617(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.238(D) Ave N Shift Values>> N :: 109.67(3.87) 1.S40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 175.128 CA :: 57.575(D) CB :: 63.478(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.344(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 :: 116.162(D) Ave N Shift Values>> N :: 116.28(3.52) 1.K41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.15 H 0.15 M 0.14 C 0.12 W 0.11 K 0.1 E 0.1 Q 0.08 C Shift Assignments>> C :: 176.623 CA :: 55.536(D) CB :: 31.229(D) 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 :: 8.222(D) 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 :: 121.440(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.58 L 0.21 R 0.09 C 0.04 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 171.009 CA :: 44.625(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 6.597(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.218(D) Ave N Shift Values>> N :: 109.67(3.87) 1.S43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 172.543 CA :: 57.180(D) CB :: 65.615(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.082(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 :: 113.685(D) Ave N Shift Values>> N :: 116.28(3.52) 1.I44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.26 Y 0.2 K 0.18 C 0.12 I 0.1 L 0.06 R 0.03 D 0.02 C Shift Assignments>> C :: 173.736 CA :: 59.542(D) CB :: 41.527(D) 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 :: 9.126(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.442(D) Ave N Shift Values>> N :: 121.46(4.28) 1.K45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.15 R 0.15 H 0.14 C 0.13 K 0.11 W 0.1 E 0.09 Q 0.08 C Shift Assignments>> C :: 176.312 CA :: 55.738(D) CB :: 31.398(D) 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 :: 8.252(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 127.060(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.M46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.17 K 0.15 H 0.13 C 0.11 W 0.1 R 0.1 E 0.09 L 0.07 M 0.02 I 0.01 HN Overlap>> 1.L99 1.L99 C Shift Assignments>> C :: 178.911 CA :: 55.279 CB :: 28.450(D) 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 :: 8.135(D) 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 :: 123.750(D) Ave N Shift Values>> N :: 120.09(3.57) 1.A47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.55 M 0.39 C 0.02 I 0.01 C Shift Assignments>> C :: 178.741 CA :: 54.529(D) CB :: 18.470(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.693(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.290(D) Ave N Shift Values>> N :: 123.23(3.54) 1.V48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.22 W 0.16 E 0.11 R 0.1 V 0.09 H 0.08 K 0.06 Q 0.05 M 0.04 I 0.03 P 0.01 C Shift Assignments>> C :: 175.024 CA :: 59.759(D) CB :: 30.919(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 :: 7.059(D) 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 :: 106.440(D) Ave N Shift Values>> N :: 121.14(4.54) 1.C49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.15 E 0.14 C 0.13 H 0.12 Q 0.12 R 0.12 K 0.11 M 0.03 I 0.02 C Shift Assignments>> C :: 173.791 CA :: 57.748(D) CB :: 29.704(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.354(D) 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 :: 119.743(D) Ave N Shift Values>> N :: 120.17(4.64) 1.E50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.17 R 0.16 C 0.13 M 0.12 W 0.11 Q 0.11 E 0.09 K 0.07 C Shift Assignments>> C :: 175.109 CA :: 54.430(D) CB :: 30.789(D) 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 :: 8.832(D) 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 :: 124.545(D) Ave N Shift Values>> N :: 120.67(3.48) 1.I51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.31 Y 0.25 F 0.21 C 0.18 E 0.01 C Shift Assignments>> C :: 175.426 CA :: 60.112(D) CB :: 38.609(D) 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 :: 8.564(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 124.182(D) Ave N Shift Values>> N :: 121.46(4.28) 1.K52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.26 Q 0.2 C 0.18 K 0.15 H 0.06 R 0.05 W 0.03 E 0.01 C Shift Assignments>> C :: 175.554 CA :: 53.998(D) CB :: 33.636(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.117(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 128.231(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.36 P 0.22 C 0.22 W 0.05 K 0.03 R 0.02 H 0.01 E 0.01 M 0.01 I 0.01 C Shift Assignments>> C :: 175.274 CA :: 61.825(D) CB :: 32.189(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 :: 8.741(D) 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 :: 125.402(D) Ave N Shift Values>> N :: 121.14(4.54) 1.H54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.2 K 0.14 R 0.11 M 0.11 W 0.11 H 0.09 E 0.08 V 0.07 Q 0.04 C Shift Assignments>> CA :: 58.517(D) CB :: 32.109(D) Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.433(D) 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 :: 128.571(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.S55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> I 0.15 C 0.12 T 0.11 V 0.11 S 0.09 F 0.08 Y 0.08 W 0.06 E 0.03 K 0.02 R 0.02 H 0.02 Q 0.01 P 0.01 M 0.01 C Shift Assignments>> C :: 174.377 CA :: 60.456 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) 1.A56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.89 M 0.05 C 0.02 L 0.02 C Shift Assignments>> C :: 176.803 CA :: 52.566(D) CB :: 20.034(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.584(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.929(D) Ave N Shift Values>> N :: 123.23(3.54) 1.D57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.36 D 0.33 L 0.11 C 0.06 F 0.05 Y 0.04 K 0.01 C Shift Assignments>> C :: 176.304 CA :: 52.339(D) CB :: 40.282(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 :: 9.068(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 :: 121.471(D) Ave N Shift Values>> N :: 120.65(3.86) 1.N58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.36 C 0.21 E 0.13 M 0.09 Y 0.07 F 0.05 D 0.02 K 0.01 C Shift Assignments>> C :: 174.101 CA :: 53.765(D) CB :: 36.780(D) 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 :: 8.313(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 :: 122.091(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 176.067 CA :: 61.757 CB :: 69.474 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 :: 8.294(D) 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 :: 104.917(D) Ave N Shift Values>> N :: 115.42(4.75) 1.R60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.21 K 0.18 Q 0.17 C 0.16 R 0.08 H 0.07 W 0.05 E 0.03 V 0.01 C Shift Assignments>> C :: 176.287 CA :: 55.941(D) CB :: 33.120(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 :: 7.495(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.869(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.M61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.23 C 0.23 M 0.14 N 0.14 Y 0.07 K 0.04 F 0.04 Q 0.02 C Shift Assignments>> C :: 172.551 CA :: 54.758(D) CB :: 36.246(D) 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 :: 8.955(D) 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 :: 120.450(D) Ave N Shift Values>> N :: 120.09(3.57) 1.E62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.25 C 0.17 K 0.16 Q 0.14 H 0.09 R 0.09 W 0.05 E 0.02 C Shift Assignments>> C :: 173.529 CA :: 54.024(D) CB :: 32.934(D) 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 :: 8.903(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.224(D) Ave N Shift Values>> N :: 120.67(3.48) 1.L63 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.33 D 0.2 R 0.2 G 0.09 C 0.04 K 0.04 F 0.03 N 0.02 Y 0.01 C Shift Assignments>> C :: 175.409 CA :: 52.811(D) CB :: 43.193(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 :: 8.562(D) 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 :: 122.751(D) Ave N Shift Values>> N :: 121.86(3.9) 1.I64 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.3 Y 0.25 F 0.25 C 0.15 L 0.01 C Shift Assignments>> C :: 175.598 CA :: 60.325(D) CB :: 39.507(D) 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 :: 8.802(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 123.420(D) Ave N Shift Values>> N :: 121.46(4.28) 1.I65 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.29 F 0.24 C 0.19 I 0.13 E 0.04 D 0.02 L 0.02 N 0.01 M 0.01 C Shift Assignments>> CA :: 58.118(D) CB :: 38.478(D) 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 :: 8.517(D) 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 :: 128.266(D) Ave N Shift Values>> N :: 121.46(4.28) 1.P66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.41 V 0.34 C 0.13 I 0.07 W 0.02 C Shift Assignments>> C :: 177.022 CA :: 64.295 CB :: 30.904 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) 1.G67 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.74 L 0.14 C 0.03 R 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 174.172 CA :: 44.994(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.590(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.014(D) Ave N Shift Values>> N :: 109.67(3.87) 1.E68 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.15 R 0.15 E 0.13 W 0.13 Q 0.13 C 0.12 M 0.07 K 0.07 C Shift Assignments>> C :: 175.676 CA :: 56.280(D) CB :: 30.272(D) 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 :: 8.301(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.555(D) Ave N Shift Values>> N :: 120.67(3.48) 1.Q69 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.16 R 0.15 M 0.15 C 0.13 W 0.1 K 0.09 E 0.09 Q 0.09 C Shift Assignments>> C :: 174.688 CA :: 54.988(D) CB :: 31.131(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 :: 7.949(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 :: 117.225(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.H70 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.16 R 0.15 M 0.15 C 0.13 W 0.1 Q 0.09 K 0.09 E 0.09 C Shift Assignments>> C :: 173.290 CA :: 54.698(D) CB :: 31.123(D) 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 :: 8.722(D) 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 :: 122.772(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.F71 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.24 L 0.19 F 0.16 Y 0.13 K 0.08 C 0.07 N 0.07 I 0.01 C Shift Assignments>> C :: 174.457 CA :: 55.650(D) CB :: 40.700(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.086(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 124.522(D) Ave N Shift Values>> N :: 120.45(4.18) 1.Y72 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.29 F 0.26 C 0.16 I 0.07 D 0.07 L 0.05 N 0.04 E 0.01 C Shift Assignments>> C :: 175.020 CA :: 57.218(D) CB :: 39.082(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 :: 8.879(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 :: 123.147(D) Ave N Shift Values>> N :: 120.52(4.2) 1.M73 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.39 C 0.17 Y 0.11 F 0.09 E 0.07 D 0.07 M 0.04 L 0.02 I 0.01 C Shift Assignments>> C :: 175.014 CA :: 54.300(D) CB :: 37.680(D) 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 :: 8.767(D) 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 :: 120.314(D) Ave N Shift Values>> N :: 120.09(3.57) 1.K74 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.23 C 0.22 E 0.15 Q 0.14 K 0.11 N 0.03 Y 0.02 H 0.02 R 0.01 F 0.01 C Shift Assignments>> C :: 174.515 CA :: 54.800(D) CB :: 35.136(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.085(D) 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 :: 120.907(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A75 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.93 C 0.02 G 0.01 C Shift Assignments>> C :: 177.091 CA :: 49.449(D) CB :: 20.331(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.703(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.223(D) Ave N Shift Values>> N :: 123.23(3.54) 1.V76 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.43 V 0.35 C 0.12 I 0.05 W 0.02 C Shift Assignments>> C :: 175.658 CA :: 64.256(D) CB :: 31.116(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 :: 8.968(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 114.876(D) Ave N Shift Values>> N :: 121.14(4.54) 1.N77 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.6 D 0.18 C 0.07 F 0.04 L 0.04 Y 0.03 C Shift Assignments>> C :: 174.771 CA :: 51.838(D) CB :: 39.065(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.179(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 :: 109.397(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A78 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.48 M 0.47 C 0.01 I 0.01 C Shift Assignments>> C :: 180.244 CA :: 54.404(D) CB :: 17.895(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.561(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.875(D) Ave N Shift Values>> N :: 123.23(3.54) 1.A79 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.65 A 0.3 I 0.02 C 0.01 C Shift Assignments>> C :: 181.160 CA :: 54.639(D) CB :: 16.836(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.294(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.972(D) Ave N Shift Values>> N :: 123.23(3.54) 1.E80 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.15 C 0.15 K 0.13 E 0.13 Q 0.11 H 0.1 R 0.09 I 0.06 M 0.02 C Shift Assignments>> C :: 178.926 CA :: 58.532(D) CB :: 29.092(D) 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 :: 8.620(D) 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 :: 119.801(D) Ave N Shift Values>> N :: 120.67(3.48) 1.R81 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.26 C 0.21 W 0.14 K 0.08 E 0.07 Q 0.05 H 0.05 R 0.04 P 0.02 V 0.02 C Shift Assignments>> C :: 177.623 CA :: 60.559(D) CB :: 28.698(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 :: 7.830(D) 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 :: 119.239(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.Q82 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.21 C 0.19 I 0.14 L 0.11 Q 0.08 W 0.08 K 0.05 H 0.05 E 0.04 C Shift Assignments>> C :: 177.444 CA :: 58.651(D) CB :: 26.829(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 :: 7.968(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 :: 118.619(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R83 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.18 W 0.16 E 0.12 K 0.1 H 0.09 R 0.09 Q 0.09 I 0.08 V 0.02 M 0.02 C Shift Assignments>> C :: 180.252 CA :: 59.364(D) CB :: 29.534(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 :: 7.633(D) 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 :: 117.951(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.W84 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.37 C 0.21 W 0.1 P 0.09 K 0.04 E 0.04 R 0.03 Q 0.03 H 0.03 V 0.01 C Shift Assignments>> C :: 178.061 CA :: 61.316(D) CB :: 28.339 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 :: 7.817(D) HE1 :: 10.581 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 :: 119.545(D) NE1 :: 130.933 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.L85 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.29 Y 0.26 C 0.12 L 0.09 I 0.08 D 0.06 K 0.06 C Shift Assignments>> C :: 180.809 CA :: 58.236(D) CB :: 40.505(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 :: 8.919(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.102(D) Ave N Shift Values>> N :: 121.86(3.9) 1.V86 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.47 P 0.33 C 0.11 I 0.06 C Shift Assignments>> C :: 178.886 CA :: 65.686(D) CB :: 31.034(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 :: 8.135(D) 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 :: 119.900(D) Ave N Shift Values>> N :: 121.14(4.54) 1.A87 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.5 A 0.44 I 0.02 C 0.02 C Shift Assignments>> C :: 180.578 CA :: 54.745(D) CB :: 17.975(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.254(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.383(D) Ave N Shift Values>> N :: 123.23(3.54) 1.L88 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.2 K 0.18 L 0.17 Y 0.16 D 0.12 C 0.08 I 0.02 R 0.02 N 0.01 C Shift Assignments>> C :: 179.136 CA :: 57.102(D) CB :: 41.198(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 :: 9.264(D) 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 :: 118.561(D) Ave N Shift Values>> N :: 121.86(3.9) 1.G89 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 176.107 CA :: 46.125(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.159(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.052(D) Ave N Shift Values>> N :: 109.67(3.87) 1.S90 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 175.794 CA :: 60.041(D) CB :: 62.828(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.894(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 :: 116.587(D) Ave N Shift Values>> N :: 116.28(3.52) 1.S91 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 175.244 CA :: 59.960(D) CB :: 63.526(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.784(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 :: 117.027(D) Ave N Shift Values>> N :: 116.28(3.52) 1.K92 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.15 R 0.14 M 0.13 K 0.12 H 0.12 W 0.11 E 0.1 Q 0.06 V 0.02 C Shift Assignments>> C :: 176.590 CA :: 57.205(D) CB :: 31.574(D) 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 :: 7.668(D) 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 :: 120.348(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A93 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.8 M 0.18 C 0.01 C Shift Assignments>> C :: 177.610 CA :: 52.510(D) CB :: 18.288(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.752(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.973(D) Ave N Shift Values>> N :: 123.23(3.54) 1.C94 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.18 C 0.18 I 0.14 W 0.1 Q 0.09 L 0.08 H 0.06 E 0.06 K 0.06 C Shift Assignments>> C :: 174.791 CA :: 58.712(D) CB :: 27.307(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.954(D) 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 :: 117.594(D) Ave N Shift Values>> N :: 120.17(4.64) 1.L95 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.3 L 0.21 F 0.11 K 0.1 N 0.09 Y 0.08 C 0.06 R 0.01 C Shift Assignments>> CA :: 54.645(D) CB :: 41.023(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 :: 8.180(D) 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 :: 124.275(D) Ave N Shift Values>> N :: 121.86(3.9) 1.T96 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.294 CA :: 61.608(D) CB :: 69.200(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.995(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.025(D) Ave N Shift Values>> N :: 115.42(4.75) 1.D97 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.33 L 0.18 N 0.17 F 0.1 Y 0.08 C 0.06 K 0.04 C Shift Assignments>> CA :: 54.212(D) CB :: 40.572(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 :: 8.222(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 :: 122.709(D) Ave N Shift Values>> N :: 120.65(3.86) 1.T98 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> T 0.99 C Shift Assignments>> CA :: 61.580(D) CB :: 69.141(D) 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.L99 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.26 L 0.23 K 0.14 F 0.11 Y 0.08 N 0.06 C 0.06 R 0.02 HN Overlap>> 1.M46 1.M46 C Shift Assignments>> CA :: 55.119(D) CB :: 41.272(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 :: 8.110(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.709(D) Ave N Shift Values>> N :: 121.86(3.9) 1.E100 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.15 K 0.14 H 0.14 W 0.12 E 0.12 R 0.11 C 0.11 M 0.04 I 0.01 L 0.01 C Shift Assignments>> CA :: 56.299(D) CB :: 29.305(D) 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 :: 8.157(D) 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 :: 120.701(D) Ave N Shift Values>> N :: 120.67(3.48) 1.H101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.16 H 0.15 K 0.14 W 0.12 C 0.11 R 0.11 E 0.11 M 0.04 L 0.01 C Shift Assignments>> CA :: 55.326 CB :: 29.143 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 :: 8.182 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 119.249 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H102 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H103 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H104 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H105 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H106 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 11 #Clerical: 95 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 100 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 6 Shift Relative Order (SRO) Results: #Consistent: 106 #Suspicious: 0 C Shift Results: #Consistent: 113 #Duplicate: 168 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 5 #Duplicate: 93 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 5 #Duplicate: 93 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.G3 CA = 44.747(D), Expected = 45.35, Std = 1.3400, ChiSquare = 6.5271e-01 1.G3 H = 7.941(D), Expected = 8.33, Std = 0.6500, ChiSquare = 5.4953e-01 1.G3 N = 108.124(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.8954e-01 1.V4 CA = 61.769(D), Expected = 62.49, Std = 2.8600, ChiSquare = 8.0097e-01 1.V4 CB = 32.333(D), Expected = 32.73, Std = 1.7900, ChiSquare = 8.2448e-01 1.V4 H = 8.419(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.4732e-01 1.V4 N = 119.852(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.7664e-01 1.L5 CA = 53.795(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.9155e-01 1.L5 CB = 45.302(D), Expected = 42.31, Std = 1.8800, ChiSquare = 1.1150e-01 1.L5 H = 8.605(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.6399e-01 1.L5 N = 125.715(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.2293e-01 1.Y6 CA = 57.312(D), Expected = 58.13, Std = 2.5100, ChiSquare = 7.4450e-01 1.Y6 CB = 38.365(D), Expected = 39.32, Std = 2.1600, ChiSquare = 6.5840e-01 1.Y6 H = 8.949(D), Expected = 8.32, Std = 0.7300, ChiSquare = 3.8888e-01 1.Y6 N = 119.312(D), Expected = 120.52, Std = 4.2000, ChiSquare = 7.7364e-01 1.K7 CA = 53.483(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.1505e-01 1.K7 CB = 35.668(D), Expected = 32.79, Std = 1.7800, ChiSquare = 1.0591e-01 1.K7 H = 9.493(D), Expected = 8.19, Std = 0.6000, ChiSquare = 2.9881e-02 1.K7 N = 123.852(D), Expected = 121.05, Std = 3.7700, ChiSquare = 4.5734e-01 1.W8 H = 8.164(D), Expected = 8.29, Std = 0.7900, ChiSquare = 8.7328e-01 1.W8 N = 127.394(D), Expected = 121.68, Std = 4.1800, ChiSquare = 1.7163e-01 1.T9 H = 6.402(D), Expected = 8.24, Std = 0.6200, ChiSquare = 3.0316e-03 1.T9 N = 121.163(D), Expected = 115.42, Std = 4.7500, ChiSquare = 2.2664e-01 1.N10 H = 7.386(D), Expected = 8.34, Std = 0.6300, ChiSquare = 1.2995e-01 1.N10 N = 115.524(D), Expected = 118.93, Std = 4.0300, ChiSquare = 3.9802e-01 1.Y11 CA = 62.102(D), Expected = 58.13, Std = 2.5100, ChiSquare = 1.1354e-01 1.Y11 CB = 37.883(D), Expected = 39.32, Std = 2.1600, ChiSquare = 5.0587e-01 1.Y11 H = 8.516(D), Expected = 8.32, Std = 0.7300, ChiSquare = 7.8832e-01 1.Y11 N = 114.770(D), Expected = 120.52, Std = 4.2000, ChiSquare = 1.7098e-01 1.L12 H = 8.198(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.6074e-01 1.L12 N = 116.491(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.6862e-01 1.T13 H = 7.578(D), Expected = 8.24, Std = 0.6200, ChiSquare = 2.8564e-01 1.T13 N = 105.728(D), Expected = 115.42, Std = 4.7500, ChiSquare = 4.1308e-02 1.G14 CA = 45.727(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.7845e-01 1.G14 H = 7.730(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.5597e-01 1.G14 N = 110.315(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.6763e-01 1.W15 CA = 56.439(D), Expected = 57.66, Std = 2.5800, ChiSquare = 6.3603e-01 1.W15 CB = 28.803(D), Expected = 30.01, Std = 2.0100, ChiSquare = 5.4817e-01 1.W15 H = 9.002(D), Expected = 8.29, Std = 0.7900, ChiSquare = 3.6745e-01 1.W15 N = 129.152(D), Expected = 121.68, Std = 4.1800, ChiSquare = 7.3847e-02 1.Q16 CA = 51.884(D), Expected = 56.57, Std = 2.1400, ChiSquare = 2.8545e-02 1.Q16 CB = 30.667(D), Expected = 29.19, Std = 1.8200, ChiSquare = 4.1706e-01 1.Q16 H = 8.827(D), Expected = 8.22, Std = 0.5900, ChiSquare = 3.0357e-01 1.Q16 N = 122.401(D), Expected = 119.89, Std = 3.6000, ChiSquare = 4.8549e-01 1.P17 CA = 62.497(D), Expected = 63.33, Std = 1.5200, ChiSquare = 5.8367e-01 1.P17 CB = 30.587(D), Expected = 31.85, Std = 1.1800, ChiSquare = 2.8447e-01 1.R18 CA = 52.768(D), Expected = 56.77, Std = 2.3100, ChiSquare = 8.3190e-02 1.R18 CB = 33.189(D), Expected = 30.70, Std = 1.8300, ChiSquare = 1.7380e-01 1.R18 H = 8.977(D), Expected = 8.24, Std = 0.6100, ChiSquare = 2.2697e-01 1.R18 N = 123.726(D), Expected = 120.80, Std = 3.6800, ChiSquare = 4.2655e-01 1.W19 CA = 55.729(D), Expected = 57.66, Std = 2.5800, ChiSquare = 4.5419e-01 1.W19 CB = 30.770(D), Expected = 30.01, Std = 2.0100, ChiSquare = 7.0535e-01 1.W19 H = 8.329(D), Expected = 8.29, Std = 0.7900, ChiSquare = 9.6063e-01 1.W19 N = 121.698(D), Expected = 121.68, Std = 4.1800, ChiSquare = 9.9656e-01 1.F20 CA = 56.285(D), Expected = 58.08, Std = 2.5700, ChiSquare = 4.8490e-01 1.F20 CB = 42.398(D), Expected = 39.99, Std = 2.0900, ChiSquare = 2.4926e-01 1.F20 H = 8.873(D), Expected = 8.36, Std = 0.7200, ChiSquare = 4.7616e-01 1.F20 N = 127.854(D), Expected = 120.45, Std = 4.1800, ChiSquare = 7.6512e-02 1.V21 CA = 61.345(D), Expected = 62.49, Std = 2.8600, ChiSquare = 6.8890e-01 1.V21 CB = 35.513(D), Expected = 32.73, Std = 1.7900, ChiSquare = 1.2001e-01 1.V21 H = 8.949(D), Expected = 8.29, Std = 0.6700, ChiSquare = 3.2532e-01 1.V21 N = 117.576(D), Expected = 121.14, Std = 4.5400, ChiSquare = 4.3244e-01 1.L22 CA = 52.859(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.9489e-01 1.L22 CB = 44.442(D), Expected = 42.31, Std = 1.8800, ChiSquare = 2.5678e-01 1.L22 H = 9.152(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.5606e-01 1.L22 N = 130.078(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.5102e-02 1.N24 CA = 53.902(D), Expected = 53.54, Std = 1.8800, ChiSquare = 8.4731e-01 1.N24 CB = 37.176(D), Expected = 38.69, Std = 1.6900, ChiSquare = 3.7033e-01 1.N24 H = 9.115(D), Expected = 8.34, Std = 0.6300, ChiSquare = 2.1864e-01 1.N24 N = 125.377(D), Expected = 118.93, Std = 4.0300, ChiSquare = 1.0965e-01 1.G25 CA = 45.383(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.8035e-01 1.G25 H = 8.677(D), Expected = 8.33, Std = 0.6500, ChiSquare = 5.9345e-01 1.G25 N = 102.489(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.3517e-02 1.I26 CA = 59.143(D), Expected = 61.61, Std = 2.6800, ChiSquare = 3.5730e-01 1.I26 CB = 38.530(D), Expected = 38.63, Std = 2.0200, ChiSquare = 9.6052e-01 1.I26 H = 7.919(D), Expected = 8.28, Std = 0.6800, ChiSquare = 5.9550e-01 1.I26 N = 122.640(D), Expected = 121.46, Std = 4.2800, ChiSquare = 7.8278e-01 1.L27 CA = 52.882(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.9864e-01 1.L27 CB = 43.537(D), Expected = 42.31, Std = 1.8800, ChiSquare = 5.1398e-01 1.L27 H = 9.070(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.9625e-01 1.L27 N = 132.224(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.8738e-03 1.S28 CA = 56.957(D), Expected = 58.72, Std = 2.0700, ChiSquare = 3.9439e-01 1.S28 CB = 65.708(D), Expected = 63.80, Std = 1.4800, ChiSquare = 1.9733e-01 1.S28 H = 9.427(D), Expected = 8.28, Std = 0.5900, ChiSquare = 5.1887e-02 1.S28 N = 123.142(D), Expected = 116.28, Std = 3.5200, ChiSquare = 5.1244e-02 1.Y29 CA = 54.529(D), Expected = 58.13, Std = 2.5100, ChiSquare = 1.5138e-01 1.Y29 CB = 39.470(D), Expected = 39.32, Std = 2.1600, ChiSquare = 9.4464e-01 1.Y29 H = 7.539(D), Expected = 8.32, Std = 0.7300, ChiSquare = 2.8468e-01 1.Y29 N = 116.555(D), Expected = 120.52, Std = 4.2000, ChiSquare = 3.4515e-01 1.Y30 CA = 55.671(D), Expected = 58.13, Std = 2.5100, ChiSquare = 3.2724e-01 1.Y30 CB = 42.556(D), Expected = 39.32, Std = 2.1600, ChiSquare = 1.3409e-01 1.Y30 H = 8.966(D), Expected = 8.32, Std = 0.7300, ChiSquare = 3.7619e-01 1.Y30 N = 117.843(D), Expected = 120.52, Std = 4.2000, ChiSquare = 5.2388e-01 1.D31 CA = 57.930(D), Expected = 54.69, Std = 2.0300, ChiSquare = 1.1048e-01 1.D31 CB = 39.883(D), Expected = 40.88, Std = 1.6200, ChiSquare = 5.3827e-01 1.D31 H = 9.417(D), Expected = 8.31, Std = 0.5800, ChiSquare = 5.6311e-02 1.D31 N = 122.080(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.1103e-01 1.S32 CA = 56.871(D), Expected = 58.72, Std = 2.0700, ChiSquare = 3.7173e-01 1.S32 CB = 65.223(D), Expected = 63.80, Std = 1.4800, ChiSquare = 3.3631e-01 1.S32 H = 7.393(D), Expected = 8.28, Std = 0.5900, ChiSquare = 1.3274e-01 1.S32 N = 107.442(D), Expected = 116.28, Std = 3.5200, ChiSquare = 1.2046e-02 1.Q33 CA = 57.701(D), Expected = 56.57, Std = 2.1400, ChiSquare = 5.9715e-01 1.Q33 CB = 26.244(D), Expected = 29.19, Std = 1.8200, ChiSquare = 1.0552e-01 1.Q33 H = 8.677(D), Expected = 8.22, Std = 0.5900, ChiSquare = 4.3859e-01 1.Q33 N = 123.031(D), Expected = 119.89, Std = 3.6000, ChiSquare = 3.8294e-01 1.D34 CA = 55.338(D), Expected = 54.69, Std = 2.0300, ChiSquare = 7.4957e-01 1.D34 CB = 39.888(D), Expected = 40.88, Std = 1.6200, ChiSquare = 5.4031e-01 1.D34 H = 7.640(D), Expected = 8.31, Std = 0.5800, ChiSquare = 2.4802e-01 1.D34 N = 116.731(D), Expected = 120.65, Std = 3.8600, ChiSquare = 3.0997e-01 1.D35 CA = 54.291(D), Expected = 54.69, Std = 2.0300, ChiSquare = 8.4418e-01 1.D35 CB = 41.959(D), Expected = 40.88, Std = 1.6200, ChiSquare = 5.0538e-01 1.D35 H = 7.278(D), Expected = 8.31, Std = 0.5800, ChiSquare = 7.5189e-02 1.D35 N = 117.220(D), Expected = 120.65, Std = 3.8600, ChiSquare = 3.7422e-01 1.V36 CA = 64.762(D), Expected = 62.49, Std = 2.8600, ChiSquare = 4.2696e-01 1.V36 H = 6.919(D), Expected = 8.29, Std = 0.6700, ChiSquare = 4.0730e-02 1.V36 N = 121.363(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.6082e-01 1.C37 CA = 58.808(D), Expected = 58.30, Std = 3.3300, ChiSquare = 8.7875e-01 1.C37 CB = 26.786(D), Expected = 32.49, Std = 6.0100, ChiSquare = 3.4258e-01 1.C37 H = 8.023(D), Expected = 8.39, Std = 0.6700, ChiSquare = 5.8386e-01 1.C37 N = 115.313(D), Expected = 120.17, Std = 4.6400, ChiSquare = 2.9521e-01 1.K38 CA = 56.433(D), Expected = 56.95, Std = 2.2000, ChiSquare = 8.1421e-01 1.K38 CB = 32.169(D), Expected = 32.79, Std = 1.7800, ChiSquare = 7.2718e-01 1.K38 H = 7.740(D), Expected = 8.19, Std = 0.6000, ChiSquare = 4.5325e-01 1.K38 N = 121.689(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.6541e-01 1.G39 CA = 43.745(D), Expected = 45.35, Std = 1.3400, ChiSquare = 2.3101e-01 1.G39 H = 7.617(D), Expected = 8.33, Std = 0.6500, ChiSquare = 2.7268e-01 1.G39 N = 107.238(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.2973e-01 1.S40 CA = 57.575(D), Expected = 58.72, Std = 2.0700, ChiSquare = 5.8017e-01 1.S40 CB = 63.478(D), Expected = 63.80, Std = 1.4800, ChiSquare = 8.2777e-01 1.S40 H = 8.344(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.1362e-01 1.S40 N = 116.162(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.7326e-01 1.K41 CA = 55.536(D), Expected = 56.95, Std = 2.2000, ChiSquare = 5.2040e-01 1.K41 CB = 31.229(D), Expected = 32.79, Std = 1.7800, ChiSquare = 3.8051e-01 1.K41 H = 8.222(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.5747e-01 1.K41 N = 121.440(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.1761e-01 1.G42 CA = 44.625(D), Expected = 45.35, Std = 1.3400, ChiSquare = 5.8848e-01 1.G42 H = 6.597(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.6725e-03 1.G42 N = 105.218(D), Expected = 109.67, Std = 3.8700, ChiSquare = 2.4998e-01 1.S43 CA = 57.180(D), Expected = 58.72, Std = 2.0700, ChiSquare = 4.5690e-01 1.S43 CB = 65.615(D), Expected = 63.80, Std = 1.4800, ChiSquare = 2.2007e-01 1.S43 H = 8.082(D), Expected = 8.28, Std = 0.5900, ChiSquare = 7.3718e-01 1.S43 N = 113.685(D), Expected = 116.28, Std = 3.5200, ChiSquare = 4.6099e-01 1.I44 CA = 59.542(D), Expected = 61.61, Std = 2.6800, ChiSquare = 4.4033e-01 1.I44 CB = 41.527(D), Expected = 38.63, Std = 2.0200, ChiSquare = 1.5153e-01 1.I44 H = 9.126(D), Expected = 8.28, Std = 0.6800, ChiSquare = 2.1346e-01 1.I44 N = 122.442(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.1853e-01 1.K45 CA = 55.738(D), Expected = 56.95, Std = 2.2000, ChiSquare = 5.8170e-01 1.K45 CB = 31.398(D), Expected = 32.79, Std = 1.7800, ChiSquare = 4.3420e-01 1.K45 H = 8.252(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.1770e-01 1.K45 N = 127.060(D), Expected = 121.05, Std = 3.7700, ChiSquare = 1.1090e-01 1.M46 CB = 28.450(D), Expected = 32.99, Std = 2.2400, ChiSquare = 4.2684e-02 1.M46 H = 8.135(D), Expected = 8.26, Std = 0.6000, ChiSquare = 8.3497e-01 1.M46 N = 123.750(D), Expected = 120.09, Std = 3.5700, ChiSquare = 3.0526e-01 1.A47 CA = 54.529(D), Expected = 53.14, Std = 1.9800, ChiSquare = 4.8298e-01 1.A47 CB = 18.470(D), Expected = 19.01, Std = 1.8300, ChiSquare = 7.6793e-01 1.A47 H = 8.693(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.1127e-01 1.A47 N = 119.290(D), Expected = 123.23, Std = 3.5400, ChiSquare = 2.6571e-01 1.V48 CA = 59.759(D), Expected = 62.49, Std = 2.8600, ChiSquare = 3.3963e-01 1.V48 CB = 30.919(D), Expected = 32.73, Std = 1.7900, ChiSquare = 3.1167e-01 1.V48 H = 7.059(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.6164e-02 1.V48 N = 106.440(D), Expected = 121.14, Std = 4.5400, ChiSquare = 1.2042e-03 1.C49 CA = 57.748(D), Expected = 58.30, Std = 3.3300, ChiSquare = 8.6834e-01 1.C49 CB = 29.704(D), Expected = 32.49, Std = 6.0100, ChiSquare = 6.4296e-01 1.C49 H = 7.354(D), Expected = 8.39, Std = 0.6700, ChiSquare = 1.2204e-01 1.C49 N = 119.743(D), Expected = 120.17, Std = 4.6400, ChiSquare = 9.2668e-01 1.E50 CA = 54.430(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.6673e-01 1.E50 CB = 30.789(D), Expected = 30.01, Std = 1.7200, ChiSquare = 6.5062e-01 1.E50 H = 8.832(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.9485e-01 1.E50 N = 124.545(D), Expected = 120.67, Std = 3.4800, ChiSquare = 2.6549e-01 1.I51 CA = 60.112(D), Expected = 61.61, Std = 2.6800, ChiSquare = 5.7619e-01 1.I51 CB = 38.609(D), Expected = 38.63, Std = 2.0200, ChiSquare = 9.9171e-01 1.I51 H = 8.564(D), Expected = 8.28, Std = 0.6800, ChiSquare = 6.7620e-01 1.I51 N = 124.182(D), Expected = 121.46, Std = 4.2800, ChiSquare = 5.2479e-01 1.K52 CA = 53.998(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.7965e-01 1.K52 CB = 33.636(D), Expected = 32.79, Std = 1.7800, ChiSquare = 6.3459e-01 1.K52 H = 9.117(D), Expected = 8.19, Std = 0.6000, ChiSquare = 1.2235e-01 1.K52 N = 128.231(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.6809e-02 1.V53 CA = 61.825(D), Expected = 62.49, Std = 2.8600, ChiSquare = 8.1614e-01 1.V53 CB = 32.189(D), Expected = 32.73, Std = 1.7900, ChiSquare = 7.6247e-01 1.V53 H = 8.741(D), Expected = 8.29, Std = 0.6700, ChiSquare = 5.0086e-01 1.V53 N = 125.402(D), Expected = 121.14, Std = 4.5400, ChiSquare = 3.4785e-01 1.H54 CA = 58.517(D), Expected = 56.52, Std = 2.3100, ChiSquare = 3.8731e-01 1.H54 CB = 32.109(D), Expected = 30.24, Std = 2.0700, ChiSquare = 3.6658e-01 1.H54 H = 7.433(D), Expected = 8.24, Std = 0.6800, ChiSquare = 2.3532e-01 1.H54 N = 128.571(D), Expected = 119.69, Std = 4.0000, ChiSquare = 2.6402e-02 1.A56 CA = 52.566(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.7189e-01 1.A56 CB = 20.034(D), Expected = 19.01, Std = 1.8300, ChiSquare = 5.7578e-01 1.A56 H = 8.584(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.2217e-01 1.A56 N = 124.929(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.3127e-01 1.D57 CA = 52.339(D), Expected = 54.69, Std = 2.0300, ChiSquare = 2.4681e-01 1.D57 CB = 40.282(D), Expected = 40.88, Std = 1.6200, ChiSquare = 7.1203e-01 1.D57 H = 9.068(D), Expected = 8.31, Std = 0.5800, ChiSquare = 1.9125e-01 1.D57 N = 121.471(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.3157e-01 1.N58 CA = 53.765(D), Expected = 53.54, Std = 1.8800, ChiSquare = 9.0474e-01 1.N58 CB = 36.780(D), Expected = 38.69, Std = 1.6900, ChiSquare = 2.5840e-01 1.N58 H = 8.313(D), Expected = 8.34, Std = 0.6300, ChiSquare = 9.6582e-01 1.N58 N = 122.091(D), Expected = 118.93, Std = 4.0300, ChiSquare = 4.3282e-01 1.T59 H = 8.294(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.3059e-01 1.T59 N = 104.917(D), Expected = 115.42, Std = 4.7500, ChiSquare = 2.7025e-02 1.R60 CA = 55.941(D), Expected = 56.77, Std = 2.3100, ChiSquare = 7.1969e-01 1.R60 CB = 33.120(D), Expected = 30.70, Std = 1.8300, ChiSquare = 1.8603e-01 1.R60 H = 7.495(D), Expected = 8.24, Std = 0.6100, ChiSquare = 2.2197e-01 1.R60 N = 122.869(D), Expected = 120.80, Std = 3.6800, ChiSquare = 5.7396e-01 1.M61 CA = 54.758(D), Expected = 56.11, Std = 2.2300, ChiSquare = 5.4433e-01 1.M61 CB = 36.246(D), Expected = 32.99, Std = 2.2400, ChiSquare = 1.4606e-01 1.M61 H = 8.955(D), Expected = 8.26, Std = 0.6000, ChiSquare = 2.4673e-01 1.M61 N = 120.450(D), Expected = 120.09, Std = 3.5700, ChiSquare = 9.1968e-01 1.E62 CA = 54.024(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.1479e-01 1.E62 CB = 32.934(D), Expected = 30.01, Std = 1.7200, ChiSquare = 8.9131e-02 1.E62 H = 8.903(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.3146e-01 1.E62 N = 121.224(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.7352e-01 1.L63 CA = 52.811(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.8724e-01 1.L63 CB = 43.193(D), Expected = 42.31, Std = 1.8800, ChiSquare = 6.3858e-01 1.L63 H = 8.562(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.0951e-01 1.L63 N = 122.751(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.1929e-01 1.I64 CA = 60.325(D), Expected = 61.61, Std = 2.6800, ChiSquare = 6.3160e-01 1.I64 CB = 39.507(D), Expected = 38.63, Std = 2.0200, ChiSquare = 6.6417e-01 1.I64 H = 8.802(D), Expected = 8.28, Std = 0.6800, ChiSquare = 4.4270e-01 1.I64 N = 123.420(D), Expected = 121.46, Std = 4.2800, ChiSquare = 6.4699e-01 1.I65 CA = 58.118(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.9258e-01 1.I65 CB = 38.478(D), Expected = 38.63, Std = 2.0200, ChiSquare = 9.4002e-01 1.I65 H = 8.517(D), Expected = 8.28, Std = 0.6800, ChiSquare = 7.2744e-01 1.I65 N = 128.266(D), Expected = 121.46, Std = 4.2800, ChiSquare = 1.1179e-01 1.G67 CA = 44.994(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.9049e-01 1.G67 H = 8.590(D), Expected = 8.33, Std = 0.6500, ChiSquare = 6.8916e-01 1.G67 N = 112.014(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.4472e-01 1.E68 CA = 56.280(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.1876e-01 1.E68 CB = 30.272(D), Expected = 30.01, Std = 1.7200, ChiSquare = 8.7893e-01 1.E68 H = 8.301(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.6080e-01 1.E68 N = 118.555(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.4335e-01 1.Q69 CA = 54.988(D), Expected = 56.57, Std = 2.1400, ChiSquare = 4.5975e-01 1.Q69 CB = 31.131(D), Expected = 29.19, Std = 1.8200, ChiSquare = 2.8621e-01 1.Q69 H = 7.949(D), Expected = 8.22, Std = 0.5900, ChiSquare = 6.4600e-01 1.Q69 N = 117.225(D), Expected = 119.89, Std = 3.6000, ChiSquare = 4.5913e-01 1.H70 CA = 54.698(D), Expected = 56.52, Std = 2.3100, ChiSquare = 4.3026e-01 1.H70 CB = 31.123(D), Expected = 30.24, Std = 2.0700, ChiSquare = 6.6969e-01 1.H70 H = 8.722(D), Expected = 8.24, Std = 0.6800, ChiSquare = 4.7843e-01 1.H70 N = 122.772(D), Expected = 119.69, Std = 4.0000, ChiSquare = 4.4100e-01 1.F71 CA = 55.650(D), Expected = 58.08, Std = 2.5700, ChiSquare = 3.4439e-01 1.F71 CB = 40.700(D), Expected = 39.99, Std = 2.0900, ChiSquare = 7.3407e-01 1.F71 H = 9.086(D), Expected = 8.36, Std = 0.7200, ChiSquare = 3.1329e-01 1.F71 N = 124.522(D), Expected = 120.45, Std = 4.1800, ChiSquare = 3.2998e-01 1.Y72 CA = 57.218(D), Expected = 58.13, Std = 2.5100, ChiSquare = 7.1635e-01 1.Y72 CB = 39.082(D), Expected = 39.32, Std = 2.1600, ChiSquare = 9.1226e-01 1.Y72 H = 8.879(D), Expected = 8.32, Std = 0.7300, ChiSquare = 4.4382e-01 1.Y72 N = 123.147(D), Expected = 120.52, Std = 4.2000, ChiSquare = 5.3166e-01 1.M73 CA = 54.300(D), Expected = 56.11, Std = 2.2300, ChiSquare = 4.1699e-01 1.M73 CB = 37.680(D), Expected = 32.99, Std = 2.2400, ChiSquare = 3.6282e-02 1.M73 H = 8.767(D), Expected = 8.26, Std = 0.6000, ChiSquare = 3.9811e-01 1.M73 N = 120.314(D), Expected = 120.09, Std = 3.5700, ChiSquare = 9.4997e-01 1.K74 CA = 54.800(D), Expected = 56.95, Std = 2.2000, ChiSquare = 3.2843e-01 1.K74 CB = 35.136(D), Expected = 32.79, Std = 1.7800, ChiSquare = 1.8751e-01 1.K74 H = 9.085(D), Expected = 8.19, Std = 0.6000, ChiSquare = 1.3579e-01 1.K74 N = 120.907(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.6974e-01 1.A75 CA = 49.449(D), Expected = 53.14, Std = 1.9800, ChiSquare = 6.2302e-02 1.A75 CB = 20.331(D), Expected = 19.01, Std = 1.8300, ChiSquare = 4.7038e-01 1.A75 H = 8.703(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.0184e-01 1.A75 N = 126.223(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.9784e-01 1.V76 CA = 64.256(D), Expected = 62.49, Std = 2.8600, ChiSquare = 5.3692e-01 1.V76 CB = 31.116(D), Expected = 32.73, Std = 1.7900, ChiSquare = 3.6723e-01 1.V76 H = 8.968(D), Expected = 8.29, Std = 0.6700, ChiSquare = 3.1157e-01 1.V76 N = 114.876(D), Expected = 121.14, Std = 4.5400, ChiSquare = 1.6767e-01 1.N77 CA = 51.838(D), Expected = 53.54, Std = 1.8800, ChiSquare = 3.6530e-01 1.N77 CB = 39.065(D), Expected = 38.69, Std = 1.6900, ChiSquare = 8.2440e-01 1.N77 H = 7.179(D), Expected = 8.34, Std = 0.6300, ChiSquare = 6.5350e-02 1.N77 N = 109.397(D), Expected = 118.93, Std = 4.0300, ChiSquare = 1.8005e-02 1.A78 CA = 54.404(D), Expected = 53.14, Std = 1.9800, ChiSquare = 5.2322e-01 1.A78 CB = 17.895(D), Expected = 19.01, Std = 1.8300, ChiSquare = 5.4233e-01 1.A78 H = 8.561(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.4740e-01 1.A78 N = 121.875(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.0189e-01 1.A79 CA = 54.639(D), Expected = 53.14, Std = 1.9800, ChiSquare = 4.4901e-01 1.A79 CB = 16.836(D), Expected = 19.01, Std = 1.8300, ChiSquare = 2.3484e-01 1.A79 H = 8.294(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.7551e-01 1.A79 N = 123.972(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.3398e-01 1.E80 CA = 58.532(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.6198e-01 1.E80 CB = 29.092(D), Expected = 30.01, Std = 1.7200, ChiSquare = 5.9353e-01 1.E80 H = 8.620(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.2305e-01 1.E80 N = 119.801(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.0281e-01 1.R81 CA = 60.559(D), Expected = 56.77, Std = 2.3100, ChiSquare = 1.0095e-01 1.R81 CB = 28.698(D), Expected = 30.70, Std = 1.8300, ChiSquare = 2.7396e-01 1.R81 H = 7.830(D), Expected = 8.24, Std = 0.6100, ChiSquare = 5.0150e-01 1.R81 N = 119.239(D), Expected = 120.80, Std = 3.6800, ChiSquare = 6.7143e-01 1.Q82 CA = 58.651(D), Expected = 56.57, Std = 2.1400, ChiSquare = 3.3084e-01 1.Q82 CB = 26.829(D), Expected = 29.19, Std = 1.8200, ChiSquare = 1.9454e-01 1.Q82 H = 7.968(D), Expected = 8.22, Std = 0.5900, ChiSquare = 6.6929e-01 1.Q82 N = 118.619(D), Expected = 119.89, Std = 3.6000, ChiSquare = 7.2405e-01 1.R83 CA = 59.364(D), Expected = 56.77, Std = 2.3100, ChiSquare = 2.6146e-01 1.R83 CB = 29.534(D), Expected = 30.70, Std = 1.8300, ChiSquare = 5.2402e-01 1.R83 H = 7.633(D), Expected = 8.24, Std = 0.6100, ChiSquare = 3.1970e-01 1.R83 N = 117.951(D), Expected = 120.80, Std = 3.6800, ChiSquare = 4.3882e-01 1.W84 CA = 61.316(D), Expected = 57.66, Std = 2.5800, ChiSquare = 1.5647e-01 1.W84 H = 7.817(D), Expected = 8.29, Std = 0.7900, ChiSquare = 5.4935e-01 1.W84 N = 119.545(D), Expected = 121.68, Std = 4.1800, ChiSquare = 6.0952e-01 1.L85 CA = 58.236(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.1938e-01 1.L85 CB = 40.505(D), Expected = 42.31, Std = 1.8800, ChiSquare = 3.3700e-01 1.L85 H = 8.919(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.8914e-01 1.L85 N = 120.102(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.5216e-01 1.V86 CA = 65.686(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.6379e-01 1.V86 CB = 31.034(D), Expected = 32.73, Std = 1.7900, ChiSquare = 3.4339e-01 1.V86 H = 8.135(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.1705e-01 1.V86 N = 119.900(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.8475e-01 1.A87 CA = 54.745(D), Expected = 53.14, Std = 1.9800, ChiSquare = 4.1759e-01 1.A87 CB = 17.975(D), Expected = 19.01, Std = 1.8300, ChiSquare = 5.7168e-01 1.A87 H = 7.254(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.1487e-01 1.A87 N = 123.383(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.6553e-01 1.L88 CA = 57.102(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.8657e-01 1.L88 CB = 41.198(D), Expected = 42.31, Std = 1.8800, ChiSquare = 5.5419e-01 1.L88 H = 9.264(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.1166e-01 1.L88 N = 118.561(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.9761e-01 1.G89 CA = 46.125(D), Expected = 45.35, Std = 1.3400, ChiSquare = 5.6302e-01 1.G89 H = 8.159(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.9249e-01 1.G89 N = 106.052(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.4985e-01 1.S90 CA = 60.041(D), Expected = 58.72, Std = 2.0700, ChiSquare = 5.2337e-01 1.S90 CB = 62.828(D), Expected = 63.80, Std = 1.4800, ChiSquare = 5.1134e-01 1.S90 H = 7.894(D), Expected = 8.28, Std = 0.5900, ChiSquare = 5.1296e-01 1.S90 N = 116.587(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.3050e-01 1.S91 CA = 59.960(D), Expected = 58.72, Std = 2.0700, ChiSquare = 5.4915e-01 1.S91 CB = 63.526(D), Expected = 63.80, Std = 1.4800, ChiSquare = 8.5312e-01 1.S91 H = 7.784(D), Expected = 8.28, Std = 0.5900, ChiSquare = 4.0053e-01 1.S91 N = 117.027(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.3194e-01 1.K92 CA = 57.205(D), Expected = 56.95, Std = 2.2000, ChiSquare = 9.0772e-01 1.K92 CB = 31.574(D), Expected = 32.79, Std = 1.7800, ChiSquare = 4.9451e-01 1.K92 H = 7.668(D), Expected = 8.19, Std = 0.6000, ChiSquare = 3.8430e-01 1.K92 N = 120.348(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.5228e-01 1.A93 CA = 52.510(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.5035e-01 1.A93 CB = 18.288(D), Expected = 19.01, Std = 1.8300, ChiSquare = 6.9319e-01 1.A93 H = 7.752(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.5527e-01 1.A93 N = 121.973(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.2253e-01 1.C94 CA = 58.712(D), Expected = 58.30, Std = 3.3300, ChiSquare = 9.0153e-01 1.C94 CB = 27.307(D), Expected = 32.49, Std = 6.0100, ChiSquare = 3.8847e-01 1.C94 H = 7.954(D), Expected = 8.39, Std = 0.6700, ChiSquare = 5.1521e-01 1.C94 N = 117.594(D), Expected = 120.17, Std = 4.6400, ChiSquare = 5.7878e-01 1.L95 CA = 54.645(D), Expected = 55.62, Std = 2.1300, ChiSquare = 6.4713e-01 1.L95 CB = 41.023(D), Expected = 42.31, Std = 1.8800, ChiSquare = 4.9361e-01 1.L95 H = 8.180(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.3868e-01 1.L95 N = 124.275(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.3576e-01 1.T96 CA = 61.608(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.1320e-01 1.T96 CB = 69.200(D), Expected = 69.73, Std = 1.6300, ChiSquare = 7.4506e-01 1.T96 H = 7.995(D), Expected = 8.24, Std = 0.6200, ChiSquare = 6.9272e-01 1.T96 N = 114.025(D), Expected = 115.42, Std = 4.7500, ChiSquare = 7.6900e-01 1.D97 CA = 54.212(D), Expected = 54.69, Std = 2.0300, ChiSquare = 8.1385e-01 1.D97 CB = 40.572(D), Expected = 40.88, Std = 1.6200, ChiSquare = 8.4921e-01 1.D97 H = 8.222(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.7940e-01 1.D97 N = 122.709(D), Expected = 120.65, Std = 3.8600, ChiSquare = 5.9374e-01 1.T98 CA = 61.580(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.0483e-01 1.T98 CB = 69.141(D), Expected = 69.73, Std = 1.6300, ChiSquare = 7.1784e-01 1.L99 CA = 55.119(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.1404e-01 1.L99 CB = 41.272(D), Expected = 42.31, Std = 1.8800, ChiSquare = 5.8086e-01 1.L99 H = 8.110(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.5353e-01 1.L99 N = 123.709(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.3543e-01 1.E100 CA = 56.299(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.2518e-01 1.E100 CB = 29.305(D), Expected = 30.01, Std = 1.7200, ChiSquare = 6.8189e-01 1.E100 H = 8.157(D), Expected = 8.33, Std = 0.5900, ChiSquare = 7.6935e-01 1.E100 N = 120.701(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.9289e-01