Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.P1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> T 0.26 I 0.25 V 0.24 P 0.1 F 0.03 Y 0.03 W 0.02 C Shift Assignments>> CA :: 61.942 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.Q2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.14 M 0.11 D 0.09 H 0.09 Q 0.09 R 0.08 K 0.07 W 0.06 E 0.05 F 0.04 Y 0.04 N 0.04 A 0.03 C Shift Assignments>> CA :: 55.543 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 :: 8.527 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 :: 120.361 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.2 T 0.15 V 0.14 F 0.1 Y 0.1 W 0.08 E 0.03 K 0.03 R 0.03 H 0.02 Q 0.02 P 0.01 M 0.01 C Shift Assignments>> CA :: 60.504(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 :: 9.409(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 :: 127.986(D) Ave N Shift Values>> N :: 121.46(4.28) 1.T4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.23 T 0.17 V 0.16 F 0.09 Y 0.09 W 0.07 E 0.03 P 0.02 R 0.02 K 0.02 H 0.02 Q 0.01 M 0.01 C Shift Assignments>> CA :: 60.764(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 :: 8.332 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.601 Ave N Shift Values>> N :: 115.42(4.75) 1.L5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.17 N 0.16 A 0.13 L 0.1 M 0.08 H 0.06 Q 0.05 R 0.05 K 0.04 W 0.03 E 0.02 F 0.02 Y 0.02 C Shift Assignments>> CA :: 54.124(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 :: 9.132(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 :: 116.972(D) Ave N Shift Values>> N :: 121.86(3.9) 1.W6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.15 F 0.14 W 0.12 E 0.08 K 0.07 R 0.07 I 0.06 H 0.05 Q 0.05 V 0.04 T 0.04 M 0.04 L 0.02 C Shift Assignments>> CA :: 58.962 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 :: 7.322 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 :: 120.797 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.K7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.25 A 0.21 D 0.14 L 0.08 M 0.06 H 0.04 R 0.04 Q 0.03 K 0.02 W 0.02 F 0.01 E 0.01 Y 0.01 C Shift Assignments>> CA :: 53.499(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 :: 7.477 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 :: 115.233 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.12 H 0.11 Q 0.1 R 0.1 L 0.09 K 0.09 E 0.07 W 0.07 F 0.05 D 0.05 Y 0.05 N 0.01 A 0.01 C Shift Assignments>> CA :: 56.225(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 :: 8.747(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 :: 120.446(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.P9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> I 0.28 T 0.23 V 0.22 P 0.07 F 0.04 Y 0.04 W 0.03 E 0.01 C Shift Assignments>> CA :: 61.657 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.I10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.14 F 0.14 W 0.12 E 0.08 I 0.08 K 0.06 R 0.06 H 0.05 V 0.05 T 0.05 Q 0.04 M 0.03 L 0.02 C Shift Assignments>> CA :: 59.181 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 :: 7.619(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 :: 126.839(D) Ave N Shift Values>> N :: 121.46(4.28) 1.V11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.14 F 0.14 W 0.12 E 0.09 K 0.08 R 0.07 H 0.06 Q 0.06 M 0.05 I 0.03 L 0.03 V 0.02 T 0.02 D 0.01 C Shift Assignments>> CA :: 58.393(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 :: 9.153(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 :: 120.108(D) Ave N Shift Values>> N :: 121.14(4.54) 1.T12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.27 T 0.24 P 0.2 I 0.19 F 0.02 Y 0.01 W 0.01 C Shift Assignments>> CA :: 62.75(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 :: 8.506(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 :: 116.342(D) Ave N Shift Values>> N :: 115.42(4.75) 1.I13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.13 Y 0.13 W 0.12 E 0.1 K 0.09 R 0.08 H 0.07 Q 0.07 M 0.05 L 0.03 I 0.02 V 0.01 D 0.01 T 0.01 C Shift Assignments>> CA :: 57.977 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 :: 9.289(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 :: 120.831(D) Ave N Shift Values>> N :: 121.46(4.28) 1.R14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.18 L 0.12 N 0.09 M 0.09 A 0.07 H 0.07 Q 0.06 R 0.06 K 0.05 W 0.04 E 0.03 F 0.03 Y 0.03 C Shift Assignments>> CA :: 54.684 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 :: 8.598 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 :: 120.661 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.I15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.15 F 0.14 W 0.12 E 0.08 I 0.07 K 0.06 R 0.06 H 0.05 V 0.05 T 0.05 Q 0.05 M 0.03 L 0.02 C Shift Assignments>> CA :: 59.151 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 :: 8.928(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 :: 124.866(D) Ave N Shift Values>> N :: 121.46(4.28) 1.G16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 C Shift Assignments>> CA :: 46.925 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.721 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 118.123 Ave N Shift Values>> N :: 109.67(3.87) 1.G17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.14 R 0.03 F 0.01 D 0.01 C Shift Assignments>> CA :: 45.027(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.772 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.473 Ave N Shift Values>> N :: 109.67(3.87) 1.Q18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.17 N 0.13 L 0.11 A 0.1 M 0.08 H 0.07 Q 0.06 R 0.06 K 0.04 W 0.04 E 0.03 F 0.03 Y 0.02 C Shift Assignments>> CA :: 54.361(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 :: 7.986(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 :: 119.95(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.17 N 0.14 A 0.12 L 0.11 M 0.08 H 0.06 Q 0.05 R 0.05 K 0.04 W 0.03 E 0.03 F 0.02 Y 0.02 C Shift Assignments>> CA :: 54.254 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 :: 8.457 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 :: 123.345 Ave N Shift Values>> N :: 121.86(3.9) 1.K20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.17 N 0.16 A 0.13 L 0.1 M 0.08 H 0.06 Q 0.05 R 0.05 K 0.04 W 0.03 E 0.02 F 0.02 Y 0.02 C Shift Assignments>> CA :: 54.141 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 :: 8.995 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 :: 123.44 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.13 L 0.13 M 0.1 H 0.08 Q 0.08 R 0.07 N 0.06 K 0.06 W 0.05 A 0.05 E 0.04 F 0.04 Y 0.03 C Shift Assignments>> CA :: 55.106 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 :: 8.575 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 :: 119.587 Ave N Shift Values>> N :: 120.67(3.48) 1.A22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.52 A 0.21 N 0.12 D 0.04 L 0.02 M 0.01 H 0.01 C Shift Assignments>> CA :: 50.827(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.218(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.33(D) Ave N Shift Values>> N :: 123.23(3.54) 1.L23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.25 N 0.24 D 0.13 L 0.07 M 0.05 H 0.04 R 0.03 Q 0.03 K 0.02 W 0.02 F 0.01 E 0.01 Y 0.01 C Shift Assignments>> CA :: 53.32(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 :: 8.692(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 :: 121.436(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.14 M 0.11 H 0.09 D 0.09 Q 0.09 R 0.08 K 0.07 W 0.06 E 0.05 F 0.04 Y 0.04 N 0.04 A 0.03 C Shift Assignments>> CA :: 55.573(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 :: 8.449(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 :: 124.867(D) Ave N Shift Values>> N :: 121.86(3.9) 1.D25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.34 N 0.25 D 0.11 L 0.05 M 0.04 H 0.03 P 0.02 R 0.02 Q 0.02 W 0.01 K 0.01 F 0.01 C Shift Assignments>> CA :: 52.239(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 :: 8.734(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 :: 128.8(D) Ave N Shift Values>> N :: 120.65(3.86) 1.T26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.36 T 0.25 P 0.18 I 0.18 C Shift Assignments>> CA :: 65.535(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 :: 8.199(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 :: 110.945(D) Ave N Shift Values>> N :: 115.42(4.75) 1.G27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.83 L 0.11 R 0.01 F 0.01 C Shift Assignments>> CA :: 45.187(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.88(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.942(D) Ave N Shift Values>> N :: 109.67(3.87) 1.A28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.76 A 0.11 N 0.06 D 0.02 C Shift Assignments>> CA :: 50.054(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.541(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.373(D) Ave N Shift Values>> N :: 123.23(3.54) 1.D29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.13 E 0.11 F 0.11 Y 0.11 K 0.09 R 0.09 H 0.08 Q 0.08 M 0.06 L 0.04 D 0.01 I 0.01 V 0.01 T 0.01 C Shift Assignments>> CA :: 57.658(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 :: 8.676(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 :: 125.992(D) Ave N Shift Values>> N :: 120.65(3.86) 1.D30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.3 N 0.24 D 0.12 L 0.06 M 0.05 H 0.04 R 0.03 Q 0.03 K 0.02 W 0.02 F 0.01 Y 0.01 E 0.01 C Shift Assignments>> CA :: 52.955(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 :: 7.587(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 :: 115.797(D) Ave N Shift Values>> N :: 120.65(3.86) 1.T31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.27 V 0.26 T 0.23 I 0.18 F 0.01 Y 0.01 W 0.01 C Shift Assignments>> CA :: 63.072(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 :: 8.249(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 :: 117.092(D) Ave N Shift Values>> N :: 115.42(4.75) 1.V32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.16 Y 0.12 F 0.12 T 0.12 V 0.11 W 0.09 E 0.05 K 0.04 R 0.04 H 0.03 Q 0.02 M 0.02 L 0.01 C Shift Assignments>> CA :: 60.111(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 :: 8.258(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 :: 128.133(D) Ave N Shift Values>> N :: 121.14(4.54) 1.I33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.11 K 0.11 W 0.1 R 0.1 Q 0.09 H 0.09 F 0.08 Y 0.08 M 0.07 L 0.05 D 0.02 I 0.01 C Shift Assignments>> CA :: 57.196(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 :: 9.222(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 :: 125.441(D) Ave N Shift Values>> N :: 121.46(4.28) 1.E34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.13 D 0.12 M 0.11 H 0.09 Q 0.08 R 0.08 K 0.06 N 0.05 W 0.05 E 0.05 A 0.04 F 0.04 Y 0.03 C Shift Assignments>> CA :: 55.231(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 :: 8.054(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 :: 119.802(D) Ave N Shift Values>> N :: 120.67(3.48) 1.E35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.14 F 0.14 W 0.12 E 0.1 K 0.08 R 0.08 H 0.07 Q 0.06 M 0.05 L 0.03 I 0.02 V 0.01 T 0.01 D 0.01 C Shift Assignments>> CA :: 58.154(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 :: 7.539(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 :: 115.114(D) Ave N Shift Values>> N :: 120.67(3.48) 1.M36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.18 L 0.11 N 0.1 M 0.09 A 0.08 H 0.07 Q 0.06 R 0.06 K 0.05 W 0.04 E 0.03 F 0.03 Y 0.03 C Shift Assignments>> CA :: 54.638(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 :: 7.018(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 :: 120.443(D) Ave N Shift Values>> N :: 120.09(3.57) 1.N37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.32 N 0.25 D 0.12 L 0.06 M 0.04 H 0.03 R 0.02 Q 0.02 W 0.02 K 0.02 F 0.01 Y 0.01 E 0.01 C Shift Assignments>> CA :: 52.633(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 :: 8.635(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 :: 118.819(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.34 N 0.24 D 0.1 P 0.08 L 0.05 M 0.03 H 0.02 R 0.02 Q 0.01 W 0.01 K 0.01 F 0.01 C Shift Assignments>> CA :: 51.848(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 :: 7.268(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 :: 124.558(D) Ave N Shift Values>> N :: 121.86(3.9) 1.P39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.27 T 0.25 I 0.2 P 0.19 F 0.02 Y 0.02 W 0.01 C Shift Assignments>> CA :: 62.655(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.G40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.42 L 0.28 R 0.18 F 0.03 D 0.03 Y 0.02 C Shift Assignments>> CA :: 44.305(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.368(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.113(D) Ave N Shift Values>> N :: 109.67(3.87) 1.K41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.12 H 0.11 Q 0.1 R 0.1 L 0.09 K 0.09 E 0.07 W 0.07 F 0.05 D 0.05 Y 0.05 N 0.01 A 0.01 C Shift Assignments>> CA :: 56.206(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 :: 8.392(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 :: 119.199(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.W42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.2 A 0.16 D 0.16 L 0.09 M 0.07 H 0.05 R 0.04 Q 0.04 K 0.03 W 0.03 F 0.02 E 0.02 Y 0.02 C Shift Assignments>> CA :: 53.867(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 :: 7.411(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 :: 118.48(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.K43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.3 N 0.25 D 0.12 L 0.06 M 0.05 H 0.04 R 0.03 Q 0.02 K 0.02 W 0.02 F 0.01 Y 0.01 E 0.01 HN Overlap>> 1.T80 1.T80 C Shift Assignments>> CA :: 52.914(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 :: 8.42(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 :: 118.062(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.26 T 0.24 P 0.23 I 0.19 F 0.01 Y 0.01 W 0.01 C Shift Assignments>> CA :: 62.912(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.K45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.14 M 0.11 H 0.09 D 0.09 Q 0.09 R 0.08 K 0.07 W 0.06 E 0.05 F 0.04 Y 0.04 N 0.04 A 0.03 C Shift Assignments>> CA :: 55.569(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 :: 8.515(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 :: 121.909(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>> N 0.18 D 0.16 A 0.14 L 0.1 M 0.07 H 0.06 R 0.05 Q 0.05 K 0.04 W 0.03 E 0.02 F 0.02 Y 0.02 C Shift Assignments>> CA :: 54.022(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 :: 8.443(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 :: 122.801(D) Ave N Shift Values>> N :: 120.09(3.57) 1.I47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.15 F 0.14 W 0.12 E 0.08 K 0.07 I 0.06 R 0.06 H 0.05 Q 0.05 V 0.04 T 0.04 M 0.04 L 0.02 C Shift Assignments>> CA :: 59.011 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 :: 8.722(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 :: 117.43(D) Ave N Shift Values>> N :: 121.46(4.28) 1.V48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.23 T 0.17 V 0.16 F 0.09 Y 0.09 W 0.07 E 0.03 P 0.02 R 0.02 K 0.02 H 0.02 Q 0.01 M 0.01 C Shift Assignments>> CA :: 60.749(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 :: 8.022(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 :: 121.376(D) Ave N Shift Values>> N :: 121.14(4.54) 1.G49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.41 L 0.3 G 0.09 D 0.06 F 0.05 Y 0.03 K 0.03 C Shift Assignments>> CA :: 43.474(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.677(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.096(D) Ave N Shift Values>> N :: 109.67(3.87) 1.I50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.29 P 0.27 T 0.23 I 0.17 C Shift Assignments>> CA :: 64.479(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 :: 8.852(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 :: 121.38(D) Ave N Shift Values>> N :: 121.46(4.28) 1.G51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.37 L 0.31 G 0.14 D 0.05 F 0.05 Y 0.02 K 0.01 C Shift Assignments>> CA :: 43.673 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.975 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.338 Ave N Shift Values>> N :: 109.67(3.87) 1.G52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.42 L 0.28 R 0.18 F 0.03 D 0.03 Y 0.02 C Shift Assignments>> CA :: 44.309(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.033(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.687(D) Ave N Shift Values>> N :: 109.67(3.87) 1.F53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.11 Q 0.11 M 0.1 R 0.1 K 0.09 L 0.08 E 0.08 W 0.07 F 0.06 Y 0.05 D 0.04 N 0.01 A 0.01 C Shift Assignments>> CA :: 56.389(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 :: 8.237(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 :: 118.556(D) Ave N Shift Values>> N :: 120.45(4.18) 1.I54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.15 Y 0.12 F 0.12 T 0.11 V 0.1 W 0.1 E 0.05 K 0.04 R 0.04 H 0.03 Q 0.03 M 0.02 L 0.01 C Shift Assignments>> CA :: 59.997(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 :: 8.889(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 :: 112.495(D) Ave N Shift Values>> N :: 121.46(4.28) 1.K55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.12 L 0.11 H 0.1 Q 0.1 R 0.09 K 0.08 D 0.07 E 0.06 W 0.06 F 0.05 Y 0.05 N 0.02 A 0.02 C Shift Assignments>> CA :: 55.936(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 :: 8.379(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 :: 122.956(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.14 Y 0.14 W 0.12 E 0.1 K 0.08 R 0.08 H 0.07 Q 0.07 M 0.05 L 0.03 I 0.02 V 0.01 T 0.01 D 0.01 C Shift Assignments>> CA :: 58.059(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 :: 8.974(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 :: 115.317(D) Ave N Shift Values>> N :: 121.14(4.54) 1.R57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.13 M 0.12 H 0.1 Q 0.09 R 0.09 D 0.08 K 0.08 W 0.06 E 0.06 F 0.05 Y 0.04 N 0.03 A 0.02 C Shift Assignments>> CA :: 55.724(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 :: 8.751(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 :: 118.855(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.Q58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.13 M 0.12 H 0.1 Q 0.09 R 0.09 D 0.08 K 0.08 W 0.06 E 0.06 F 0.05 Y 0.04 N 0.03 A 0.02 C Shift Assignments>> CA :: 55.74(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 :: 9.654(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 :: 123.792(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Y59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.12 W 0.1 K 0.1 R 0.1 F 0.09 Y 0.09 H 0.09 Q 0.09 M 0.07 L 0.05 D 0.02 I 0.01 C Shift Assignments>> CA :: 57.295(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 :: 9.181 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 :: 129.111 Ave N Shift Values>> N :: 120.52(4.2) 1.D60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.21 A 0.18 D 0.15 L 0.09 M 0.07 H 0.05 R 0.04 Q 0.04 K 0.03 W 0.03 F 0.02 E 0.02 Y 0.01 C Shift Assignments>> CA :: 53.773(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 :: 8.875(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 :: 121.182(D) Ave N Shift Values>> N :: 120.65(3.86) 1.Q61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.11 H 0.11 Q 0.11 R 0.1 K 0.09 L 0.09 E 0.07 W 0.07 F 0.06 Y 0.05 D 0.05 N 0.01 A 0.01 C Shift Assignments>> CA :: 56.276(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 :: 8.983(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 :: 114.155(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.13 D 0.12 M 0.11 H 0.09 Q 0.08 R 0.08 K 0.07 N 0.05 W 0.05 E 0.05 A 0.04 F 0.04 Y 0.04 C Shift Assignments>> CA :: 55.258(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 :: 8.762(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 :: 122.218(D) Ave N Shift Values>> N :: 121.46(4.28) 1.P63 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> I 0.26 T 0.25 V 0.23 P 0.09 F 0.04 Y 0.03 W 0.02 C Shift Assignments>> CA :: 61.862(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.I64 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.14 F 0.14 W 0.11 I 0.1 E 0.07 V 0.06 T 0.06 K 0.06 R 0.06 H 0.04 Q 0.04 M 0.03 L 0.01 C Shift Assignments>> CA :: 59.443(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 :: 8.879 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 :: 123.836 Ave N Shift Values>> N :: 121.46(4.28) 1.E65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.17 N 0.15 A 0.12 L 0.1 M 0.08 H 0.06 Q 0.05 R 0.05 K 0.04 W 0.03 E 0.02 F 0.02 Y 0.02 C Shift Assignments>> CA :: 54.201 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 :: 8.282 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 :: 125.462 Ave N Shift Values>> N :: 120.67(3.48) 1.I66 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.18 T 0.13 V 0.13 F 0.11 Y 0.11 W 0.09 E 0.04 K 0.03 R 0.03 H 0.03 Q 0.02 M 0.01 P 0.01 C Shift Assignments>> CA :: 60.316 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 :: 9.167(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 :: 125.074(D) Ave N Shift Values>> N :: 121.46(4.28) 1.A67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.25 N 0.25 D 0.13 L 0.07 M 0.05 H 0.04 R 0.03 Q 0.03 K 0.02 W 0.02 F 0.01 E 0.01 Y 0.01 C Shift Assignments>> CA :: 53.324 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.02 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 131.05 Ave N Shift Values>> N :: 123.23(3.54) 1.G68 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.09 C Shift Assignments>> CA :: 45.407 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.686(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.017(D) Ave N Shift Values>> N :: 109.67(3.87) 1.H69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.18 L 0.11 N 0.11 A 0.09 M 0.09 H 0.07 Q 0.06 R 0.06 K 0.05 W 0.04 E 0.03 F 0.03 Y 0.02 C Shift Assignments>> CA :: 54.529 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 :: 8.298 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 :: 119.485 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.K70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.13 E 0.11 F 0.11 Y 0.11 K 0.09 R 0.09 H 0.08 Q 0.08 M 0.06 L 0.04 D 0.01 I 0.01 V 0.01 T 0.01 C Shift Assignments>> CA :: 57.639 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 :: 8.978 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 125.474 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A71 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.56 A 0.19 N 0.11 D 0.04 L 0.01 M 0.01 H 0.01 C Shift Assignments>> CA :: 50.763(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.806 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.395 Ave N Shift Values>> N :: 123.23(3.54) 1.I72 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.15 Y 0.12 F 0.12 T 0.11 V 0.1 W 0.1 E 0.05 K 0.04 R 0.04 H 0.03 Q 0.03 M 0.02 L 0.01 C Shift Assignments>> CA :: 59.998(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 :: 8.467(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 :: 119.368(D) Ave N Shift Values>> N :: 121.46(4.28) 1.G73 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.91 L 0.07 C Shift Assignments>> CA :: 46.012(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.461(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.237(D) Ave N Shift Values>> N :: 109.67(3.87) 1.T74 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.32 V 0.25 T 0.21 I 0.16 F 0.01 Y 0.01 C Shift Assignments>> CA :: 63.381(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 :: 8.707(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 :: 118.477(D) Ave N Shift Values>> N :: 115.42(4.75) 1.V75 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.28 T 0.22 V 0.21 P 0.06 F 0.05 Y 0.05 W 0.04 E 0.01 R 0.01 K 0.01 C Shift Assignments>> CA :: 61.443(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 :: 9.245(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 :: 126.875(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L76 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.34 N 0.25 D 0.12 L 0.06 M 0.04 H 0.03 R 0.02 Q 0.02 P 0.02 W 0.01 K 0.01 F 0.01 Y 0.01 C Shift Assignments>> CA :: 52.3(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 :: 8.246(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 :: 125.142(D) Ave N Shift Values>> N :: 121.86(3.9) 1.V77 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.14 Y 0.13 F 0.13 W 0.1 T 0.09 V 0.09 E 0.06 K 0.05 R 0.04 H 0.04 Q 0.03 M 0.02 L 0.01 C Shift Assignments>> CA :: 59.855(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 :: 9.091(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 :: 121.721(D) Ave N Shift Values>> N :: 121.14(4.54) 1.G78 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.9 L 0.07 C Shift Assignments>> CA :: 45.765(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.863(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.242(D) Ave N Shift Values>> N :: 109.67(3.87) 1.P79 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.26 P 0.25 T 0.23 I 0.18 F 0.01 Y 0.01 W 0.01 C Shift Assignments>> CA :: 62.977(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.T80 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.11 Q 0.11 R 0.1 M 0.1 K 0.09 L 0.08 E 0.08 W 0.07 F 0.06 Y 0.06 D 0.04 N 0.01 A 0.01 HN Overlap>> 1.K43 1.K43 C Shift Assignments>> CA :: 56.44(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 :: 8.332(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 :: 118.119(D) Ave N Shift Values>> N :: 115.42(4.75) 1.P81 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.32 V 0.24 T 0.21 I 0.16 F 0.01 Y 0.01 C Shift Assignments>> CA :: 63.342(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.A82 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.31 A 0.28 N 0.18 D 0.07 L 0.03 M 0.02 H 0.01 R 0.01 W 0.01 Q 0.01 C Shift Assignments>> CA :: 51.226(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.454(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.898(D) Ave N Shift Values>> N :: 123.23(3.54) 1.N83 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.25 A 0.23 D 0.14 L 0.08 M 0.06 H 0.04 R 0.03 Q 0.03 K 0.02 W 0.02 F 0.01 E 0.01 Y 0.01 C Shift Assignments>> CA :: 53.433(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 :: 8.763(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 :: 121.611(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I84 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.14 F 0.13 I 0.12 W 0.11 T 0.08 V 0.08 E 0.06 K 0.05 R 0.05 H 0.04 Q 0.03 M 0.02 L 0.01 C Shift Assignments>> CA :: 59.666(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 :: 9.469(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 :: 120.962(D) Ave N Shift Values>> N :: 121.46(4.28) 1.I85 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.12 F 0.12 Y 0.12 E 0.11 K 0.09 R 0.08 H 0.07 Q 0.07 M 0.06 L 0.04 I 0.02 D 0.01 V 0.01 T 0.01 C Shift Assignments>> CA :: 57.819(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 :: 8.801(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 :: 122.022(D) Ave N Shift Values>> N :: 121.46(4.28) 1.G86 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.41 L 0.3 G 0.08 D 0.06 F 0.05 K 0.03 Y 0.03 C Shift Assignments>> CA :: 43.457(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.133(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.685(D) Ave N Shift Values>> N :: 109.67(3.87) 1.R87 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.27 T 0.21 V 0.2 F 0.06 Y 0.06 P 0.05 W 0.04 E 0.01 R 0.01 K 0.01 H 0.01 C Shift Assignments>> CA :: 61.26(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 :: 9.36(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 :: 116.745(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.N88 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.11 R 0.11 E 0.1 Q 0.1 H 0.1 W 0.09 M 0.08 F 0.07 Y 0.07 L 0.06 D 0.03 C Shift Assignments>> CA :: 56.964(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 :: 7.985(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 :: 115.839(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L89 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.13 D 0.12 M 0.1 H 0.09 Q 0.08 R 0.07 K 0.06 N 0.06 W 0.05 E 0.04 A 0.04 F 0.04 Y 0.03 C Shift Assignments>> CA :: 55.193(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 :: 6.901(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 :: 116.506(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L90 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.13 F 0.12 Y 0.12 E 0.11 K 0.09 R 0.08 H 0.07 Q 0.07 M 0.06 L 0.04 I 0.02 D 0.01 V 0.01 T 0.01 C Shift Assignments>> CA :: 57.778(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 :: 8.243(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 :: 120.321(D) Ave N Shift Values>> N :: 121.86(3.9) 1.T91 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.32 V 0.25 T 0.21 I 0.16 F 0.01 Y 0.01 C Shift Assignments>> CA :: 63.504(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 :: 7.858(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 :: 106.158(D) Ave N Shift Values>> N :: 115.42(4.75) 1.Q92 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.13 F 0.11 Y 0.11 E 0.11 K 0.09 R 0.09 H 0.08 Q 0.07 M 0.06 L 0.04 I 0.01 D 0.01 V 0.01 T 0.01 C Shift Assignments>> CA :: 57.71(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 :: 6.666 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 :: 120.079 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I93 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.2 T 0.14 V 0.14 F 0.1 Y 0.1 W 0.08 E 0.04 K 0.03 R 0.03 H 0.02 Q 0.02 P 0.01 M 0.01 C Shift Assignments>> CA :: 60.438(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 :: 6.921(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 :: 108.563(D) Ave N Shift Values>> N :: 121.46(4.28) 1.G94 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.07 C Shift Assignments>> CA :: 45.95(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.213 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.14 Ave N Shift Values>> N :: 109.67(3.87) 1.A95 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.32 N 0.22 P 0.19 D 0.09 L 0.04 M 0.03 H 0.02 R 0.01 Q 0.01 W 0.01 K 0.01 C Shift Assignments>> CA :: 51.486(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.507(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.398(D) Ave N Shift Values>> N :: 123.23(3.54) 1.T96 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.14 F 0.14 W 0.11 I 0.09 E 0.07 V 0.06 T 0.06 K 0.06 R 0.06 H 0.05 Q 0.04 M 0.03 L 0.01 C Shift Assignments>> CA :: 59.398(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 :: 9.001(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 :: 108.981(D) Ave N Shift Values>> N :: 115.42(4.75) 1.L97 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.25 A 0.24 D 0.13 L 0.07 M 0.05 H 0.04 R 0.03 Q 0.03 K 0.02 W 0.02 F 0.01 E 0.01 Y 0.01 C Shift Assignments>> CA :: 53.348(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 :: 8.553(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 :: 121.278(D) Ave N Shift Values>> N :: 121.86(3.9) 1.N98 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.31 N 0.25 D 0.12 L 0.06 M 0.05 H 0.03 R 0.03 Q 0.02 K 0.02 W 0.02 F 0.01 Y 0.01 E 0.01 C Shift Assignments>> CA :: 52.85(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 :: 8.913(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 :: 121.661(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F99 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.15 F 0.14 W 0.12 E 0.08 K 0.07 R 0.07 I 0.06 H 0.06 Q 0.05 V 0.04 M 0.04 T 0.04 L 0.02 C Shift Assignments>> CA :: 58.912(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 :: 8.012(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 :: 122.077(D) Ave N Shift Values>> N :: 120.45(4.18) 2.0171 Overall Status: Residue type 017 not supported. ########################################################################### Overall Results: #Consistent: 14 #Clerical: 85 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 99 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 99 #Suspicious: 0 C Shift Results: #Consistent: 20 #Duplicate: 79 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 20 #Duplicate: 72 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 20 #Duplicate: 72 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.I3 CA = 60.504(D), Expected = 61.61, Std = 2.6800, ChiSquare = 6.7984e-01 1.I3 H = 9.409(D), Expected = 8.28, Std = 0.6800, ChiSquare = 9.6855e-02 1.I3 N = 127.986(D), Expected = 121.46, Std = 4.2800, ChiSquare = 1.2732e-01 1.T4 CA = 60.764(D), Expected = 62.22, Std = 2.5900, ChiSquare = 5.7401e-01 1.L5 CA = 54.124(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.8246e-01 1.L5 H = 9.132(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.6523e-01 1.L5 N = 116.972(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.1008e-01 1.K7 CA = 53.499(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.1673e-01 1.R8 CA = 56.225(D), Expected = 56.77, Std = 2.3100, ChiSquare = 8.1349e-01 1.R8 H = 8.747(D), Expected = 8.24, Std = 0.6100, ChiSquare = 4.0589e-01 1.R8 N = 120.446(D), Expected = 120.80, Std = 3.6800, ChiSquare = 9.2337e-01 1.I10 H = 7.619(D), Expected = 8.28, Std = 0.6800, ChiSquare = 3.3102e-01 1.I10 N = 126.839(D), Expected = 121.46, Std = 4.2800, ChiSquare = 2.0883e-01 1.V11 CA = 58.393(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.5200e-01 1.V11 H = 9.153(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.9772e-01 1.V11 N = 120.108(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.2018e-01 1.T12 CA = 62.75(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.3786e-01 1.T12 H = 8.506(D), Expected = 8.24, Std = 0.6200, ChiSquare = 6.6790e-01 1.T12 N = 116.342(D), Expected = 115.42, Std = 4.7500, ChiSquare = 8.4609e-01 1.I13 H = 9.289(D), Expected = 8.28, Std = 0.6800, ChiSquare = 1.3786e-01 1.I13 N = 120.831(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.8316e-01 1.I15 H = 8.928(D), Expected = 8.28, Std = 0.6800, ChiSquare = 3.4062e-01 1.I15 N = 124.866(D), Expected = 121.46, Std = 4.2800, ChiSquare = 4.2615e-01 1.G17 CA = 45.027(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.0952e-01 1.Q18 CA = 54.361(D), Expected = 56.57, Std = 2.1400, ChiSquare = 3.0196e-01 1.Q18 H = 7.986(D), Expected = 8.22, Std = 0.5900, ChiSquare = 6.9165e-01 1.Q18 N = 119.95(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.8670e-01 1.A22 CA = 50.827(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.4273e-01 1.A22 H = 9.218(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.9760e-02 1.A22 N = 123.33(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.7746e-01 1.L23 CA = 53.32(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.8023e-01 1.L23 H = 8.692(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.7723e-01 1.L23 N = 121.436(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.1343e-01 1.L24 CA = 55.573(D), Expected = 55.62, Std = 2.1300, ChiSquare = 9.8240e-01 1.L24 H = 8.449(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.3617e-01 1.L24 N = 124.867(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.4069e-01 1.D25 CA = 52.239(D), Expected = 54.69, Std = 2.0300, ChiSquare = 2.2728e-01 1.D25 H = 8.734(D), Expected = 8.31, Std = 0.5800, ChiSquare = 4.6476e-01 1.D25 N = 128.8(D), Expected = 120.65, Std = 3.8600, ChiSquare = 3.4738e-02 1.T26 CA = 65.535(D), Expected = 62.22, Std = 2.5900, ChiSquare = 2.0057e-01 1.T26 H = 8.199(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.4728e-01 1.T26 N = 110.945(D), Expected = 115.42, Std = 4.7500, ChiSquare = 3.4614e-01 1.G27 CA = 45.187(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.0318e-01 1.G27 H = 7.88(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.8874e-01 1.G27 N = 108.942(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.5079e-01 1.A28 CA = 50.054(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.1909e-01 1.A28 H = 7.541(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.7206e-01 1.A28 N = 126.373(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.7462e-01 1.D29 CA = 57.658(D), Expected = 54.69, Std = 2.0300, ChiSquare = 1.4372e-01 1.D29 H = 8.676(D), Expected = 8.31, Std = 0.5800, ChiSquare = 5.2802e-01 1.D29 N = 125.992(D), Expected = 120.65, Std = 3.8600, ChiSquare = 1.6638e-01 1.D30 CA = 52.955(D), Expected = 54.69, Std = 2.0300, ChiSquare = 3.9273e-01 1.D30 H = 7.587(D), Expected = 8.31, Std = 0.5800, ChiSquare = 2.1256e-01 1.D30 N = 115.797(D), Expected = 120.65, Std = 3.8600, ChiSquare = 2.0866e-01 1.T31 CA = 63.072(D), Expected = 62.22, Std = 2.5900, ChiSquare = 7.4219e-01 1.T31 H = 8.249(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.8842e-01 1.T31 N = 117.092(D), Expected = 115.42, Std = 4.7500, ChiSquare = 7.2484e-01 1.V32 CA = 60.111(D), Expected = 62.49, Std = 2.8600, ChiSquare = 4.0551e-01 1.V32 H = 8.258(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.6191e-01 1.V32 N = 128.133(D), Expected = 121.14, Std = 4.5400, ChiSquare = 1.2349e-01 1.I33 CA = 57.196(D), Expected = 61.61, Std = 2.6800, ChiSquare = 9.9555e-02 1.I33 H = 9.222(D), Expected = 8.28, Std = 0.6800, ChiSquare = 1.6596e-01 1.I33 N = 125.441(D), Expected = 121.46, Std = 4.2800, ChiSquare = 3.5230e-01 1.E34 CA = 55.231(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.1754e-01 1.E34 H = 8.054(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.3993e-01 1.E34 N = 119.802(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.0303e-01 1.E35 CA = 58.154(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.8986e-01 1.E35 H = 7.539(D), Expected = 8.33, Std = 0.5900, ChiSquare = 1.8002e-01 1.E35 N = 115.114(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.1037e-01 1.M36 CA = 54.638(D), Expected = 56.11, Std = 2.2300, ChiSquare = 5.0920e-01 1.M36 H = 7.018(D), Expected = 8.26, Std = 0.6000, ChiSquare = 3.8452e-02 1.M36 N = 120.443(D), Expected = 120.09, Std = 3.5700, ChiSquare = 9.2123e-01 1.N37 CA = 52.633(D), Expected = 53.54, Std = 1.8800, ChiSquare = 6.2949e-01 1.N37 H = 8.635(D), Expected = 8.34, Std = 0.6300, ChiSquare = 6.3960e-01 1.N37 N = 118.819(D), Expected = 118.93, Std = 4.0300, ChiSquare = 9.7803e-01 1.L38 CA = 51.848(D), Expected = 55.62, Std = 2.1300, ChiSquare = 7.6579e-02 1.L38 H = 7.268(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.3887e-01 1.L38 N = 124.558(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.8907e-01 1.P39 CA = 62.655(D), Expected = 63.33, Std = 1.5200, ChiSquare = 6.5699e-01 1.G40 CA = 44.305(D), Expected = 45.35, Std = 1.3400, ChiSquare = 4.3548e-01 1.G40 H = 8.368(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.5338e-01 1.G40 N = 106.113(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.5803e-01 1.K41 CA = 56.206(D), Expected = 56.95, Std = 2.2000, ChiSquare = 7.3523e-01 1.K41 H = 8.392(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.3637e-01 1.K41 N = 119.199(D), Expected = 121.05, Std = 3.7700, ChiSquare = 6.2344e-01 1.W42 CA = 53.867(D), Expected = 57.66, Std = 2.5800, ChiSquare = 1.4152e-01 1.W42 H = 7.411(D), Expected = 8.29, Std = 0.7900, ChiSquare = 2.6586e-01 1.W42 N = 118.48(D), Expected = 121.68, Std = 4.1800, ChiSquare = 4.4394e-01 1.K43 CA = 52.914(D), Expected = 56.95, Std = 2.2000, ChiSquare = 6.6573e-02 1.K43 H = 8.42(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.0147e-01 1.K43 N = 118.062(D), Expected = 121.05, Std = 3.7700, ChiSquare = 4.2803e-01 1.P44 CA = 62.912(D), Expected = 63.33, Std = 1.5200, ChiSquare = 7.8332e-01 1.K45 CA = 55.569(D), Expected = 56.95, Std = 2.2000, ChiSquare = 5.3018e-01 1.K45 H = 8.515(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.8805e-01 1.K45 N = 121.909(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.1976e-01 1.M46 CA = 54.022(D), Expected = 56.11, Std = 2.2300, ChiSquare = 3.4911e-01 1.M46 H = 8.443(D), Expected = 8.26, Std = 0.6000, ChiSquare = 7.6037e-01 1.M46 N = 122.801(D), Expected = 120.09, Std = 3.5700, ChiSquare = 4.4762e-01 1.I47 H = 8.722(D), Expected = 8.28, Std = 0.6800, ChiSquare = 5.1569e-01 1.I47 N = 117.43(D), Expected = 121.46, Std = 4.2800, ChiSquare = 3.4640e-01 1.V48 CA = 60.749(D), Expected = 62.49, Std = 2.8600, ChiSquare = 5.4270e-01 1.V48 H = 8.022(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.8916e-01 1.V48 N = 121.376(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.5854e-01 1.G49 CA = 43.474(D), Expected = 45.35, Std = 1.3400, ChiSquare = 1.6151e-01 1.G49 H = 7.677(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.1508e-01 1.G49 N = 109.096(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.8209e-01 1.I50 CA = 64.479(D), Expected = 61.61, Std = 2.6800, ChiSquare = 2.8438e-01 1.I50 H = 8.852(D), Expected = 8.28, Std = 0.6800, ChiSquare = 4.0025e-01 1.I50 N = 121.38(D), Expected = 121.46, Std = 4.2800, ChiSquare = 9.8509e-01 1.G52 CA = 44.309(D), Expected = 45.35, Std = 1.3400, ChiSquare = 4.3724e-01 1.G52 H = 7.033(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.6001e-02 1.G52 N = 106.687(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.4083e-01 1.F53 CA = 56.389(D), Expected = 58.08, Std = 2.5700, ChiSquare = 5.1055e-01 1.F53 H = 8.237(D), Expected = 8.36, Std = 0.7200, ChiSquare = 8.6435e-01 1.F53 N = 118.556(D), Expected = 120.45, Std = 4.1800, ChiSquare = 6.5047e-01 1.I54 CA = 59.997(D), Expected = 61.61, Std = 2.6800, ChiSquare = 5.4726e-01 1.I54 H = 8.889(D), Expected = 8.28, Std = 0.6800, ChiSquare = 3.7047e-01 1.I54 N = 112.495(D), Expected = 121.46, Std = 4.2800, ChiSquare = 3.6204e-02 1.K55 CA = 55.936(D), Expected = 56.95, Std = 2.2000, ChiSquare = 6.4486e-01 1.K55 H = 8.379(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.5276e-01 1.K55 N = 122.956(D), Expected = 121.05, Std = 3.7700, ChiSquare = 6.1316e-01 1.V56 CA = 58.059(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.2131e-01 1.V56 H = 8.974(D), Expected = 8.29, Std = 0.6700, ChiSquare = 3.0730e-01 1.V56 N = 115.317(D), Expected = 121.14, Std = 4.5400, ChiSquare = 1.9963e-01 1.R57 CA = 55.724(D), Expected = 56.77, Std = 2.3100, ChiSquare = 6.5068e-01 1.R57 H = 8.751(D), Expected = 8.24, Std = 0.6100, ChiSquare = 4.0220e-01 1.R57 N = 118.855(D), Expected = 120.80, Std = 3.6800, ChiSquare = 5.9713e-01 1.Q58 CA = 55.74(D), Expected = 56.57, Std = 2.1400, ChiSquare = 6.9813e-01 1.Q58 H = 9.654(D), Expected = 8.22, Std = 0.5900, ChiSquare = 1.5078e-02 1.Q58 N = 123.792(D), Expected = 119.89, Std = 3.6000, ChiSquare = 2.7841e-01 1.Y59 CA = 57.295(D), Expected = 58.13, Std = 2.5100, ChiSquare = 7.3938e-01 1.D60 CA = 53.773(D), Expected = 54.69, Std = 2.0300, ChiSquare = 6.5147e-01 1.D60 H = 8.875(D), Expected = 8.31, Std = 0.5800, ChiSquare = 3.2999e-01 1.D60 N = 121.182(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.9038e-01 1.Q61 CA = 56.276(D), Expected = 56.57, Std = 2.1400, ChiSquare = 8.9073e-01 1.Q61 H = 8.983(D), Expected = 8.22, Std = 0.5900, ChiSquare = 1.9593e-01 1.Q61 N = 114.155(D), Expected = 119.89, Std = 3.6000, ChiSquare = 1.1115e-01 1.I62 CA = 55.258(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.7781e-02 1.I62 H = 8.762(D), Expected = 8.28, Std = 0.6800, ChiSquare = 4.7843e-01 1.I62 N = 122.218(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.5943e-01 1.P63 CA = 61.862(D), Expected = 63.33, Std = 1.5200, ChiSquare = 3.3415e-01 1.I64 CA = 59.443(D), Expected = 61.61, Std = 2.6800, ChiSquare = 4.1876e-01 1.I66 H = 9.167(D), Expected = 8.28, Std = 0.6800, ChiSquare = 1.9209e-01 1.I66 N = 125.074(D), Expected = 121.46, Std = 4.2800, ChiSquare = 3.9845e-01 1.G68 H = 8.686(D), Expected = 8.33, Std = 0.6500, ChiSquare = 5.8390e-01 1.G68 N = 103.017(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.5592e-02 1.A71 CA = 50.763(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.2994e-01 1.I72 CA = 59.998(D), Expected = 61.61, Std = 2.6800, ChiSquare = 5.4751e-01 1.I72 H = 8.467(D), Expected = 8.28, Std = 0.6800, ChiSquare = 7.8332e-01 1.I72 N = 119.368(D), Expected = 121.46, Std = 4.2800, ChiSquare = 6.2499e-01 1.G73 CA = 46.012(D), Expected = 45.35, Std = 1.3400, ChiSquare = 6.2128e-01 1.G73 H = 8.461(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.4028e-01 1.G73 N = 112.237(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.0713e-01 1.T74 CA = 63.381(D), Expected = 62.22, Std = 2.5900, ChiSquare = 6.5396e-01 1.T74 H = 8.707(D), Expected = 8.24, Std = 0.6200, ChiSquare = 4.5131e-01 1.T74 N = 118.477(D), Expected = 115.42, Std = 4.7500, ChiSquare = 5.1985e-01 1.V75 CA = 61.443(D), Expected = 62.49, Std = 2.8600, ChiSquare = 7.1430e-01 1.V75 H = 9.245(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.5405e-01 1.V75 N = 126.875(D), Expected = 121.14, Std = 4.5400, ChiSquare = 2.0651e-01 1.L76 CA = 52.3(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.1907e-01 1.L76 H = 8.246(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.8036e-01 1.L76 N = 125.142(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.0005e-01 1.V77 CA = 59.855(D), Expected = 62.49, Std = 2.8600, ChiSquare = 3.5688e-01 1.V77 H = 9.091(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.3188e-01 1.V77 N = 121.721(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.9817e-01 1.G78 CA = 45.765(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.5679e-01 1.G78 H = 8.863(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.1222e-01 1.G78 N = 113.242(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.5601e-01 1.P79 CA = 62.977(D), Expected = 63.33, Std = 1.5200, ChiSquare = 8.1635e-01 1.T80 CA = 56.44(D), Expected = 62.22, Std = 2.5900, ChiSquare = 2.5637e-02 1.T80 H = 8.332(D), Expected = 8.24, Std = 0.6200, ChiSquare = 8.8204e-01 1.T80 N = 118.119(D), Expected = 115.42, Std = 4.7500, ChiSquare = 5.6989e-01 1.P81 CA = 63.342(D), Expected = 63.33, Std = 1.5200, ChiSquare = 9.9370e-01 1.A82 CA = 51.226(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.3371e-01 1.A82 H = 7.454(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.1374e-01 1.A82 N = 119.898(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.4658e-01 1.N83 CA = 53.433(D), Expected = 53.54, Std = 1.8800, ChiSquare = 9.5461e-01 1.N83 H = 8.763(D), Expected = 8.34, Std = 0.6300, ChiSquare = 5.0195e-01 1.N83 N = 121.611(D), Expected = 118.93, Std = 4.0300, ChiSquare = 5.0588e-01 1.I84 CA = 59.666(D), Expected = 61.61, Std = 2.6800, ChiSquare = 4.6822e-01 1.I84 H = 9.469(D), Expected = 8.28, Std = 0.6800, ChiSquare = 8.0372e-02 1.I84 N = 120.962(D), Expected = 121.46, Std = 4.2800, ChiSquare = 9.0737e-01 1.I85 CA = 57.819(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.5720e-01 1.I85 H = 8.801(D), Expected = 8.28, Std = 0.6800, ChiSquare = 4.4357e-01 1.I85 N = 122.022(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.9553e-01 1.G86 CA = 43.457(D), Expected = 45.35, Std = 1.3400, ChiSquare = 1.5775e-01 1.G86 H = 8.133(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.6183e-01 1.G86 N = 113.685(D), Expected = 109.67, Std = 3.8700, ChiSquare = 2.9952e-01 1.R87 CA = 61.26(D), Expected = 56.77, Std = 2.3100, ChiSquare = 5.1929e-02 1.R87 H = 9.36(D), Expected = 8.24, Std = 0.6100, ChiSquare = 6.6348e-02 1.R87 N = 116.745(D), Expected = 120.80, Std = 3.6800, ChiSquare = 2.7050e-01 1.N88 CA = 56.964(D), Expected = 53.54, Std = 1.8800, ChiSquare = 6.8565e-02 1.N88 H = 7.985(D), Expected = 8.34, Std = 0.6300, ChiSquare = 5.7310e-01 1.N88 N = 115.839(D), Expected = 118.93, Std = 4.0300, ChiSquare = 4.4308e-01 1.L89 CA = 55.193(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.4111e-01 1.L89 H = 6.901(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.0893e-02 1.L89 N = 116.506(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.6981e-01 1.L90 CA = 57.778(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.1099e-01 1.L90 H = 8.243(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.8404e-01 1.L90 N = 120.321(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.9313e-01 1.T91 CA = 63.504(D), Expected = 62.22, Std = 2.5900, ChiSquare = 6.2007e-01 1.T91 H = 7.858(D), Expected = 8.24, Std = 0.6200, ChiSquare = 5.3781e-01 1.T91 N = 106.158(D), Expected = 115.42, Std = 4.7500, ChiSquare = 5.1189e-02 1.Q92 CA = 57.71(D), Expected = 56.57, Std = 2.1400, ChiSquare = 5.9423e-01 1.I93 CA = 60.438(D), Expected = 61.61, Std = 2.6800, ChiSquare = 6.6188e-01 1.I93 H = 6.921(D), Expected = 8.28, Std = 0.6800, ChiSquare = 4.5659e-02 1.I93 N = 108.563(D), Expected = 121.46, Std = 4.2800, ChiSquare = 2.5841e-03 1.G94 CA = 45.95(D), Expected = 45.35, Std = 1.3400, ChiSquare = 6.5433e-01 1.A95 CA = 51.486(D), Expected = 53.14, Std = 1.9800, ChiSquare = 4.0352e-01 1.A95 H = 7.507(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.4809e-01 1.A95 N = 120.398(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.2371e-01 1.T96 CA = 59.398(D), Expected = 62.22, Std = 2.5900, ChiSquare = 2.7590e-01 1.T96 H = 9.001(D), Expected = 8.24, Std = 0.6200, ChiSquare = 2.1966e-01 1.T96 N = 108.981(D), Expected = 115.42, Std = 4.7500, ChiSquare = 1.7523e-01 1.L97 CA = 53.348(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.8612e-01 1.L97 H = 8.553(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.1924e-01 1.L97 N = 121.278(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.8137e-01 1.N98 CA = 52.85(D), Expected = 53.54, Std = 1.8800, ChiSquare = 7.1360e-01 1.N98 H = 8.913(D), Expected = 8.34, Std = 0.6300, ChiSquare = 3.6307e-01 1.N98 N = 121.661(D), Expected = 118.93, Std = 4.0300, ChiSquare = 4.9798e-01 1.F99 CA = 58.912(D), Expected = 58.08, Std = 2.5700, ChiSquare = 7.4614e-01 1.F99 H = 8.012(D), Expected = 8.36, Std = 0.7200, ChiSquare = 6.2886e-01 1.F99 N = 122.077(D), Expected = 120.45, Std = 4.1800, ChiSquare = 6.9710e-01