Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.L1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> D 0.33 L 0.26 K 0.11 N 0.09 R 0.05 F 0.05 C 0.04 Y 0.03 C Shift Assignments>> CA :: 52.900 CB :: 41.940 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) 1.P2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.38 V 0.36 C 0.16 W 0.03 I 0.01 R 0.01 K 0.01 C Shift Assignments>> C :: 176.330 CA :: 62.810 CB :: 31.880 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.I3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.48 C 0.19 Y 0.16 F 0.13 E 0.01 C Shift Assignments>> C :: 175.910 CA :: 61.640 CB :: 38.218 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 :: 8.104(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 :: 119.921(D) Ave N Shift Values>> N :: 121.46(4.28) 1.C4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.37 N 0.21 L 0.18 F 0.06 C 0.05 K 0.05 Y 0.04 HN Overlap>> 1.E143 1.E143 1.I87 1.I87 C Shift Assignments>> C :: 172.818 CA :: 52.880 CB :: 40.936 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.305(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 :: 121.102(D) Ave N Shift Values>> N :: 120.17(4.64) 1.P5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.44 V 0.38 C 0.12 W 0.01 I 0.01 C Shift Assignments>> CA :: 63.650 CB :: 31.930 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.G6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> CA :: 45.590 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) 1.G7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> C :: 174.157 CA :: 45.457 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.146(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.491(D) Ave N Shift Values>> N :: 109.67(3.87) 1.A8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.82 M 0.14 C 0.01 HN Overlap>> 1.C199 1.C199 C Shift Assignments>> C :: 177.831 CA :: 53.040 CB :: 19.060 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.723(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.774(D) Ave N Shift Values>> N :: 123.23(3.54) 1.A9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.1 C 0.01 C Shift Assignments>> CA :: 52.520 CB :: 19.180 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.232 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.215 Ave N Shift Values>> N :: 123.23(3.54) 1.R10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.16 R 0.15 Q 0.13 W 0.13 E 0.12 C 0.12 M 0.08 K 0.06 C Shift Assignments>> C :: 175.743 CA :: 55.720 CB :: 30.378 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 :: 7.855(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 :: 115.554(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.C11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.21 L 0.19 F 0.17 Y 0.14 K 0.1 C 0.08 N 0.05 I 0.01 C Shift Assignments>> C :: 173.935 CA :: 56.027 CB :: 40.830 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.065(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 :: 117.540(D) Ave N Shift Values>> N :: 120.17(4.64) 1.Q12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable 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 :: 56.220 CB :: 29.310 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) 1.V13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.41 C 0.24 P 0.16 W 0.04 K 0.03 R 0.01 M 0.01 Q 0.01 H 0.01 E 0.01 HN Overlap>> 1.I133 1.I133 C Shift Assignments>> C :: 175.931 CA :: 61.760 CB :: 32.928 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 :: 7.917(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 :: 120.746(D) Ave N Shift Values>> N :: 121.14(4.54) 1.T14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 HN Overlap>> 1.T123 1.T123 C Shift Assignments>> C :: 175.496 CA :: 61.645 CB :: 70.996 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 :: 8.487(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 :: 116.036(D) Ave N Shift Values>> N :: 115.42(4.75) 1.L15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.24 Y 0.2 K 0.18 L 0.11 C 0.1 I 0.06 D 0.06 R 0.02 C Shift Assignments>> C :: 178.848 CA :: 58.299 CB :: 41.244 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 :: 8.561(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 :: 121.917(D) Ave N Shift Values>> N :: 121.86(3.9) 1.R16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.21 W 0.16 I 0.15 E 0.1 K 0.09 H 0.07 R 0.07 Q 0.06 V 0.03 M 0.01 C Shift Assignments>> C :: 177.700 CA :: 60.150 CB :: 29.324 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 :: 8.283(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 :: 117.703(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.D17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.27 Y 0.23 L 0.11 C 0.11 D 0.09 K 0.07 I 0.06 N 0.01 C Shift Assignments>> C :: 179.190 CA :: 57.640 CB :: 40.560 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 :: 7.581(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 :: 118.730(D) Ave N Shift Values>> N :: 120.65(3.86) 1.L18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.23 F 0.21 Y 0.16 L 0.13 C 0.09 D 0.06 R 0.04 I 0.04 HN Overlap>> 1.H97 1.H97 C Shift Assignments>> C :: 180.213 CA :: 58.180 CB :: 41.565 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 :: 8.123 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 :: 119.151 Ave N Shift Values>> N :: 121.86(3.9) 1.F19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.66 C 0.14 Y 0.09 F 0.09 C Shift Assignments>> C :: 177.920 CA :: 63.388 CB :: 39.043 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 :: 8.538(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 :: 118.711(D) Ave N Shift Values>> N :: 120.45(4.18) 1.D20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 Y 0.28 C 0.13 I 0.09 L 0.08 D 0.07 K 0.02 N 0.01 HN Overlap>> 1.Y168 1.Y168 C Shift Assignments>> C :: 179.070 CA :: 57.932 CB :: 40.052 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 :: 8.404 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.513 Ave N Shift Values>> N :: 120.65(3.86) 1.R21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.16 C 0.16 E 0.14 R 0.11 H 0.11 Q 0.1 K 0.09 I 0.04 M 0.03 V 0.02 HN Overlap>> 1.S61 1.I84 1.S61 1.I84 C Shift Assignments>> C :: 178.490 CA :: 58.640 CB :: 29.874 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 :: 7.818 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 :: 117.677 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.A22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.64 A 0.27 I 0.05 C 0.02 HN Overlap>> 1.V149 1.V149 C Shift Assignments>> C :: 178.753 CA :: 55.580 CB :: 17.770 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.143(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.980(D) Ave N Shift Values>> N :: 123.23(3.54) 1.V23 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.71 C 0.14 F 0.07 Y 0.06 C Shift Assignments>> CA :: 64.653 CB :: 40.602(S) 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 :: 8.040 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 :: 113.798 Ave N Shift Values>> N :: 121.14(4.54) 1.V24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.63 P 0.22 C 0.1 I 0.03 C Shift Assignments>> C :: 179.274 CA :: 66.530 CB :: 31.500 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 :: 7.437 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 :: 121.755 Ave N Shift Values>> N :: 121.14(4.54) 1.L25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.21 K 0.2 L 0.16 F 0.15 Y 0.1 C 0.07 D 0.04 I 0.02 G 0.01 HN Overlap>> 1.L113 1.L113 C Shift Assignments>> C :: 178.990 CA :: 58.060 CB :: 42.527 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 :: 7.858(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 :: 120.053(D) Ave N Shift Values>> N :: 121.86(3.9) 1.S26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 177.970 CA :: 62.790 CB :: 61.920 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.283(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.520(D) Ave N Shift Values>> N :: 116.28(3.52) 1.H27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.21 W 0.17 I 0.11 E 0.11 R 0.08 H 0.07 K 0.07 Q 0.06 V 0.04 M 0.01 C Shift Assignments>> C :: 177.258 CA :: 60.130 CB :: 29.690 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 :: 7.998(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 :: 124.886(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Y28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.33 Y 0.23 F 0.19 C 0.19 E 0.02 HN Overlap>> 1.I133 1.I133 C Shift Assignments>> C :: 177.980 CA :: 60.310 CB :: 38.401 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 :: 7.944(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.630(D) Ave N Shift Values>> N :: 120.52(4.2) 1.I29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.82 C 0.13 Y 0.01 F 0.01 C Shift Assignments>> C :: 178.360 CA :: 66.260 CB :: 38.440 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 :: 8.846 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 :: 118.578 Ave N Shift Values>> N :: 121.46(4.28) 1.H30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.17 W 0.13 I 0.13 K 0.12 Q 0.1 E 0.1 R 0.09 H 0.08 L 0.02 M 0.01 C Shift Assignments>> C :: 177.920 CA :: 59.000 CB :: 28.280 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 :: 8.197(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 :: 120.138(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.N31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.26 C 0.21 F 0.2 E 0.09 I 0.07 N 0.05 D 0.03 M 0.02 L 0.02 C Shift Assignments>> C :: 177.570 CA :: 57.000 CB :: 38.000 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 :: 8.130(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 :: 120.582(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.26 K 0.17 L 0.16 F 0.14 Y 0.09 C 0.08 D 0.04 I 0.01 G 0.01 HN Overlap>> 1.K190 1.K190 C Shift Assignments>> C :: 179.540 CA :: 58.150 CB :: 42.757 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 :: 8.538(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 :: 120.182(D) Ave N Shift Values>> N :: 121.86(3.9) 1.S33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 HN Overlap>> 1.S179 1.S179 C Shift Assignments>> CA :: 62.490 CB :: 62.410 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.553(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.532(D) Ave N Shift Values>> N :: 116.28(3.52) 1.S34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> CA :: 62.470 CB :: 62.500 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.042(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 :: 120.510(D) Ave N Shift Values>> N :: 116.28(3.52) 1.E35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.18 W 0.16 E 0.12 K 0.1 H 0.09 I 0.09 Q 0.09 R 0.09 V 0.02 M 0.02 HN Overlap>> 1.A116 1.A116 C Shift Assignments>> C :: 179.090 CA :: 59.390 CB :: 29.415 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 :: 8.278 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.830 Ave N Shift Values>> N :: 120.67(3.48) 1.M36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 V 0.25 K 0.11 Q 0.07 M 0.06 W 0.05 R 0.04 H 0.03 E 0.02 P 0.02 C Shift Assignments>> C :: 177.300 CA :: 60.240 CB :: 33.266 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 :: 8.806 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 :: 118.924 Ave N Shift Values>> N :: 120.09(3.57) 1.F37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.54 C 0.15 Y 0.15 F 0.14 C Shift Assignments>> C :: 176.430 CA :: 62.210 CB :: 39.100 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 :: 7.975(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 :: 117.348(D) Ave N Shift Values>> N :: 120.45(4.18) 1.S38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 177.060 CA :: 61.960 CB :: 62.920 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.186(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 :: 113.754(D) Ave N Shift Values>> N :: 116.28(3.52) 1.E39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.17 W 0.16 E 0.13 H 0.1 R 0.1 K 0.09 Q 0.09 I 0.06 M 0.02 V 0.02 C Shift Assignments>> C :: 178.700 CA :: 59.080 CB :: 29.680 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 :: 8.355 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 :: 120.388 Ave N Shift Values>> N :: 120.67(3.48) 1.F40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.52 F 0.16 Y 0.15 C 0.14 C Shift Assignments>> C :: 176.870 CA :: 62.440 CB :: 40.052 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 :: 8.336 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 :: 120.690 Ave N Shift Values>> N :: 120.45(4.18) 1.D41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.25 K 0.2 R 0.15 D 0.13 F 0.1 Y 0.06 C 0.05 N 0.01 C Shift Assignments>> C :: 178.710 CA :: 56.060 CB :: 42.330 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 :: 8.664(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 :: 119.653(D) Ave N Shift Values>> N :: 120.65(3.86) 1.K42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.22 K 0.12 W 0.12 V 0.11 R 0.1 M 0.09 H 0.08 E 0.08 Q 0.03 C Shift Assignments>> C :: 178.020 CA :: 59.200 CB :: 31.983 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 :: 8.037(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 :: 116.566(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.14 E 0.14 R 0.14 H 0.14 C 0.14 Q 0.11 M 0.06 K 0.06 V 0.01 I 0.01 C Shift Assignments>> C :: 177.400 CA :: 57.420 CB :: 30.470 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 :: 7.290(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 :: 115.520(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.Y44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.29 Y 0.26 I 0.2 C 0.14 K 0.03 L 0.03 D 0.01 C Shift Assignments>> C :: 176.470 CA :: 59.857 CB :: 40.510 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 :: 8.067(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 :: 114.102(D) Ave N Shift Values>> N :: 120.52(4.2) 1.T45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 175.649 CA :: 63.153 CB :: 69.302 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 :: 7.640(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 :: 108.244(D) Ave N Shift Values>> N :: 115.42(4.75) 1.H46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.14 K 0.14 C 0.14 E 0.13 Q 0.12 H 0.11 R 0.09 I 0.05 M 0.02 L 0.01 C Shift Assignments>> C :: 176.630 CA :: 58.207 CB :: 29.003 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 :: 8.505 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 :: 123.348 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G47 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> H 0.16 R 0.15 W 0.13 E 0.12 Q 0.12 C 0.12 M 0.09 K 0.06 C Shift Assignments>> CA :: 55.760 CB :: 30.460 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) 1.G49 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.F50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.28 F 0.22 C 0.2 I 0.1 E 0.07 N 0.02 D 0.02 L 0.01 M 0.01 HN Overlap>> 1.N196 1.N196 C Shift Assignments>> C :: 176.180 CA :: 57.652 CB :: 38.194 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 :: 7.664 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 :: 117.619 Ave N Shift Values>> N :: 120.45(4.18) 1.I51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.45 C 0.22 Y 0.15 F 0.11 E 0.02 V 0.01 C Shift Assignments>> C :: 176.409 CA :: 61.500 CB :: 37.677 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 :: 7.554(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 :: 120.787(D) Ave N Shift Values>> N :: 121.46(4.28) 1.T52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.882 CA :: 62.618 CB :: 69.256 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 :: 7.780(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 :: 115.342(D) Ave N Shift Values>> N :: 115.42(4.75) 1.K53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.17 K 0.17 C 0.15 R 0.12 H 0.1 Q 0.08 W 0.08 E 0.06 V 0.01 HN Overlap>> 1.A72 1.A72 C Shift Assignments>> C :: 176.303 CA :: 56.400 CB :: 32.399 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 :: 7.835(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 :: 121.297(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.84 M 0.13 C 0.01 C Shift Assignments>> C :: 177.680 CA :: 52.732 CB :: 18.990 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.889 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.540 Ave N Shift Values>> N :: 123.23(3.54) 1.I55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.45 C 0.19 Y 0.17 F 0.14 E 0.01 C Shift Assignments>> C :: 174.916 CA :: 61.392 CB :: 38.142 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 :: 7.876(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 :: 118.574(D) Ave N Shift Values>> N :: 121.46(4.28) 1.N56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.23 K 0.15 F 0.1 Y 0.08 N 0.05 C 0.05 R 0.02 C Shift Assignments>> C :: 179.027 CA :: 54.977 CB :: 41.402 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 :: 7.813 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 :: 126.565 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 HN Overlap>> 1.Q73 1.I182 1.Q73 1.I182 C Shift Assignments>> C :: 177.684 CA :: 58.150 CB :: 63.840 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.119(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.399(D) Ave N Shift Values>> N :: 116.28(3.52) 1.C58 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H59 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.901 CA :: 62.085 CB :: 68.156 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 :: 7.395 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 :: 107.898 Ave N Shift Values>> N :: 115.42(4.75) 1.S61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 HN Overlap>> 1.R21 1.R21 1.I84 1.I84 C Shift Assignments>> C :: 173.748 CA :: 61.490 CB :: 62.996 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.879(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 :: 117.751(D) Ave N Shift Values>> N :: 116.28(3.52) 1.S62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.870 CA :: 59.070 CB :: 62.780 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) 1.L63 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.27 D 0.24 K 0.17 R 0.08 F 0.07 Y 0.05 C 0.04 N 0.03 HN Overlap>> 1.Y147 1.Y147 C Shift Assignments>> C :: 176.150 CA :: 54.512 CB :: 42.023 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 :: 7.477(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 :: 122.557(D) Ave N Shift Values>> N :: 121.86(3.9) 1.A64 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.76 M 0.22 C Shift Assignments>> C :: 176.850 CA :: 51.920 CB :: 17.404 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.298(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.186(D) Ave N Shift Values>> N :: 123.23(3.54) 1.T65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 S 0.02 C Shift Assignments>> C :: 173.220 CA :: 58.253 CB :: 68.550 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 :: 7.970 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 :: 112.623 Ave N Shift Values>> N :: 115.42(4.75) 1.P66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.36 V 0.32 C 0.17 W 0.04 I 0.03 R 0.01 E 0.01 K 0.01 H 0.01 C Shift Assignments>> CA :: 62.690 CB :: 31.410 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.E67 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.14 E 0.14 W 0.14 H 0.14 C 0.13 Q 0.11 M 0.07 K 0.06 V 0.01 I 0.01 C Shift Assignments>> C :: 175.752 CA :: 57.198 CB :: 30.424 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 :: 8.726(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 :: 123.408(D) Ave N Shift Values>> N :: 120.67(3.48) 1.D68 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.31 D 0.26 R 0.15 K 0.08 C 0.04 F 0.04 N 0.04 G 0.03 Y 0.02 C Shift Assignments>> C :: 176.420 CA :: 52.900 CB :: 42.700 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 :: 7.556(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 :: 116.144(D) Ave N Shift Values>> N :: 120.65(3.86) 1.K69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> C 0.24 K 0.14 V 0.13 M 0.09 W 0.09 R 0.08 Q 0.06 H 0.06 E 0.05 C Shift Assignments>> CA :: 59.210 CB :: 32.590 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) 1.E70 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.19 I 0.16 W 0.15 K 0.11 E 0.1 Q 0.08 H 0.07 R 0.06 V 0.01 M 0.01 C Shift Assignments>> C :: 179.220 CA :: 59.660 CB :: 28.682 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 :: 8.267(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 :: 120.271(D) Ave N Shift Values>> N :: 120.67(3.48) 1.Q71 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.15 W 0.14 K 0.14 Q 0.12 E 0.12 H 0.1 R 0.08 I 0.08 M 0.01 L 0.01 C Shift Assignments>> C :: 179.170 CA :: 58.480 CB :: 28.728 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 :: 8.495(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 :: 118.240(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 A 0.46 I 0.02 C 0.02 HN Overlap>> 1.K53 1.K53 C Shift Assignments>> C :: 178.694 CA :: 54.630 CB :: 18.000 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.894 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.219 Ave N Shift Values>> N :: 123.23(3.54) 1.Q73 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.15 C 0.14 Q 0.13 W 0.13 E 0.12 H 0.1 R 0.08 I 0.06 L 0.02 M 0.01 HN Overlap>> 1.S57 1.S57 1.I182 1.I182 C Shift Assignments>> C :: 176.792 CA :: 57.900 CB :: 28.544 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 :: 8.019(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 :: 115.400(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q74 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.16 K 0.15 H 0.14 W 0.12 E 0.11 C 0.11 R 0.1 M 0.03 L 0.02 I 0.01 C Shift Assignments>> C :: 176.281 CA :: 55.790 CB :: 29.003 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 :: 7.344(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 :: 114.638(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.M75 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.2 K 0.18 C 0.16 Q 0.16 R 0.08 H 0.08 W 0.05 E 0.03 V 0.01 C Shift Assignments>> C :: 175.900 CA :: 56.010 CB :: 33.037 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 :: 7.236(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 :: 119.819(D) Ave N Shift Values>> N :: 120.09(3.57) 1.N76 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.42 D 0.23 F 0.08 C 0.08 Y 0.08 L 0.07 C Shift Assignments>> C :: 175.914 CA :: 53.510 CB :: 39.300 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 :: 8.939(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 :: 123.480(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q77 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 W 0.15 V 0.13 R 0.09 E 0.09 H 0.07 K 0.06 M 0.04 Q 0.04 I 0.02 P 0.02 C Shift Assignments>> C :: 178.490 CA :: 60.030 CB :: 31.203 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 :: 8.147 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 :: 119.777 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D79 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.25 Y 0.22 D 0.14 L 0.13 C 0.11 K 0.04 I 0.04 N 0.03 C Shift Assignments>> C :: 178.800 CA :: 56.930 CB :: 40.340 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 :: 7.862(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 :: 119.632(D) Ave N Shift Values>> N :: 120.65(3.86) 1.F80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.28 F 0.25 I 0.25 C 0.16 L 0.01 C Shift Assignments>> C :: 178.030 CA :: 59.720 CB :: 39.181 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 :: 8.285 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 :: 121.376 Ave N Shift Values>> N :: 120.45(4.18) 1.L81 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.25 Y 0.2 K 0.18 C 0.1 L 0.1 I 0.07 D 0.04 R 0.02 C Shift Assignments>> C :: 178.390 CA :: 58.650 CB :: 41.290 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 :: 8.299(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 :: 118.026(D) Ave N Shift Values>> N :: 121.86(3.9) 1.S82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.800 CA :: 62.070 CB :: 62.870 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.054 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 :: 112.540 Ave N Shift Values>> N :: 116.28(3.52) 1.L83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.22 F 0.22 Y 0.17 L 0.12 C 0.09 D 0.05 I 0.04 R 0.04 C Shift Assignments>> C :: 178.190 CA :: 58.250 CB :: 41.565 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 :: 7.921 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 :: 123.389 Ave N Shift Values>> N :: 121.86(3.9) 1.I84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.81 C 0.13 Y 0.01 F 0.01 V 0.01 HN Overlap>> 1.R21 1.S61 1.R21 1.S61 C Shift Assignments>> C :: 177.560 CA :: 66.220 CB :: 38.218 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 :: 7.825 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 :: 117.789 Ave N Shift Values>> N :: 121.46(4.28) 1.V85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.77 C 0.1 P 0.08 I 0.04 HN Overlap>> 1.D160 1.D160 C Shift Assignments>> C :: 177.290 CA :: 67.697 CB :: 31.341 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 :: 7.813 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 :: 117.165 Ave N Shift Values>> N :: 121.14(4.54) 1.S86 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 176.660 CA :: 63.170 CB :: 63.280 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.437(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.546(D) Ave N Shift Values>> N :: 116.28(3.52) 1.I87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.79 C 0.14 V 0.02 Y 0.01 F 0.01 HN Overlap>> 1.E143 1.C4 1.E143 1.C4 C Shift Assignments>> C :: 178.890 CA :: 66.400 CB :: 37.897 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 :: 8.371 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 :: 121.117 Ave N Shift Values>> N :: 121.46(4.28) 1.L88 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.25 F 0.16 K 0.15 L 0.12 Y 0.11 C 0.09 I 0.03 G 0.02 D 0.02 C Shift Assignments>> C :: 179.730 CA :: 58.950 CB :: 42.803 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 :: 8.090(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 :: 118.815(D) Ave N Shift Values>> N :: 121.86(3.9) 1.R89 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.18 W 0.16 E 0.12 K 0.11 I 0.1 H 0.09 Q 0.08 R 0.08 V 0.02 M 0.01 C Shift Assignments>> C :: 179.610 CA :: 59.480 CB :: 29.324 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 :: 8.938(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 :: 117.695(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.S90 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 175.640 CA :: 61.020 CB :: 63.410 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.843(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 :: 113.839(D) Ave N Shift Values>> N :: 116.28(3.52) 1.W91 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.19 W 0.17 E 0.13 R 0.1 H 0.1 Q 0.08 K 0.07 I 0.06 V 0.03 M 0.03 C Shift Assignments>> C :: 176.480 CA :: 59.400 CB :: 29.980 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 :: 7.707(D) Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 121.165(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.N92 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.3 F 0.27 C 0.17 I 0.11 D 0.04 L 0.03 N 0.02 E 0.01 C Shift Assignments>> C :: 177.100 CA :: 57.760 CB :: 38.920 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 :: 7.291(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 :: 119.260(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E93 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.4 C 0.2 P 0.15 R 0.07 W 0.06 Q 0.02 E 0.01 H 0.01 L 0.01 K 0.01 C Shift Assignments>> C :: 175.709 CA :: 61.100 CB :: 27.031 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.155(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 :: 118.923(D) Ave N Shift Values>> N :: 120.67(3.48) 1.P94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.34 I 0.34 C 0.17 P 0.11 W 0.01 C Shift Assignments>> C :: 178.160 CA :: 66.150 CB :: 29.770 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.L95 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.27 Y 0.23 K 0.12 C 0.11 L 0.09 I 0.08 D 0.05 C Shift Assignments>> C :: 178.150 CA :: 58.500 CB :: 40.923 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 :: 7.767(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 :: 113.351(D) Ave N Shift Values>> N :: 121.86(3.9) 1.Y96 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.42 C 0.23 Y 0.16 F 0.11 E 0.04 V 0.01 C Shift Assignments>> C :: 179.270 CA :: 61.250 CB :: 37.484 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 :: 7.761(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 :: 119.753(D) Ave N Shift Values>> N :: 120.52(4.2) 1.H97 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.23 W 0.17 E 0.1 V 0.1 R 0.09 H 0.08 I 0.05 Q 0.05 K 0.04 M 0.03 P 0.01 HN Overlap>> 1.L18 1.L18 C Shift Assignments>> C :: 176.878 CA :: 60.120 CB :: 30.650 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 :: 8.163(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 :: 119.091(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L98 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.23 F 0.21 Y 0.15 L 0.1 C 0.09 R 0.09 I 0.05 D 0.03 C Shift Assignments>> C :: 177.600 CA :: 58.860 CB :: 41.980 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 :: 8.783(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 :: 121.604(D) Ave N Shift Values>> N :: 121.86(3.9) 1.V99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.79 P 0.1 C 0.08 I 0.01 C Shift Assignments>> C :: 177.330 CA :: 67.410 CB :: 32.000 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 :: 7.720 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 :: 116.083 Ave N Shift Values>> N :: 121.14(4.54) 1.T100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 177.540 CA :: 66.790 CB :: 68.640 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 :: 7.552 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.029 Ave N Shift Values>> N :: 115.42(4.75) 1.E101 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.16 W 0.16 E 0.13 K 0.12 Q 0.1 H 0.1 R 0.09 I 0.07 M 0.02 V 0.01 C Shift Assignments>> C :: 180.284 CA :: 58.910 CB :: 29.359 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 :: 8.844(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 :: 120.828(D) Ave N Shift Values>> N :: 120.67(3.48) 1.V102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.5 P 0.25 C 0.13 I 0.1 C Shift Assignments>> C :: 178.464 CA :: 66.090 CB :: 30.699 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 :: 8.455 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 :: 119.659 Ave N Shift Values>> N :: 121.14(4.54) 1.R103 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.18 W 0.17 E 0.13 R 0.09 H 0.09 K 0.09 Q 0.09 I 0.07 V 0.02 M 0.02 C Shift Assignments>> C :: 177.610 CA :: 59.310 CB :: 29.657 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 :: 8.189(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 :: 118.682(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.G104 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.77 L 0.13 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 174.345 CA :: 45.075 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.397(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.228(D) Ave N Shift Values>> N :: 109.67(3.87) 1.M105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.19 K 0.18 C 0.16 Q 0.15 R 0.08 H 0.08 W 0.05 E 0.03 V 0.01 C Shift Assignments>> C :: 176.300 CA :: 56.290 CB :: 33.020 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 :: 7.468 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 :: 121.226 Ave N Shift Values>> N :: 120.09(3.57) 1.Q106 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 0.13 E 0.11 H 0.1 R 0.09 I 0.06 L 0.03 M 0.01 C Shift Assignments>> C :: 176.699 CA :: 57.932 CB :: 28.453 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 :: 8.581(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 :: 123.131(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E107 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.16 K 0.15 H 0.12 C 0.11 W 0.11 R 0.1 E 0.1 L 0.05 M 0.02 I 0.01 C Shift Assignments>> C :: 175.590 CA :: 56.006 CB :: 28.453 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 :: 8.630(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 :: 118.622(D) Ave N Shift Values>> N :: 120.67(3.48) 1.A108 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.89 M 0.09 C Shift Assignments>> C :: 176.160 CA :: 50.920 CB :: 18.137 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.760(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.039(D) Ave N Shift Values>> N :: 123.23(3.54) 1.P109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.34 V 0.33 C 0.17 W 0.05 I 0.02 R 0.01 K 0.01 E 0.01 H 0.01 C Shift Assignments>> C :: 175.930 CA :: 62.550 CB :: 31.550 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.E110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.19 W 0.16 I 0.14 E 0.11 K 0.1 H 0.07 Q 0.07 R 0.07 V 0.02 M 0.01 C Shift Assignments>> C :: 178.004 CA :: 59.857 CB :: 29.186 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 :: 8.849 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 127.641 Ave N Shift Values>> N :: 120.67(3.48) 1.A111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> A 0.61 M 0.31 C 0.03 I 0.01 C Shift Assignments>> CA :: 54.630 CB :: 19.000 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) 1.I112 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.68 C 0.19 Y 0.05 F 0.04 V 0.02 C Shift Assignments>> C :: 176.430 CA :: 64.029 CB :: 37.530 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 :: 7.231(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 :: 113.845(D) Ave N Shift Values>> N :: 121.46(4.28) 1.L113 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.28 Y 0.23 C 0.11 K 0.11 I 0.09 L 0.08 D 0.04 HN Overlap>> 1.L25 1.L25 C Shift Assignments>> C :: 177.660 CA :: 58.680 CB :: 40.923 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 :: 7.807(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 :: 120.065(D) Ave N Shift Values>> N :: 121.86(3.9) 1.S114 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 177.850 CA :: 61.660 CB :: 62.570 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.439(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 :: 110.864(D) Ave N Shift Values>> N :: 116.28(3.52) 1.K115 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.25 V 0.14 K 0.14 W 0.09 M 0.08 R 0.08 H 0.06 Q 0.06 E 0.05 C Shift Assignments>> C :: 176.980 CA :: 59.370 CB :: 32.579 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 :: 7.198(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 :: 120.424(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A116 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.71 A 0.19 I 0.06 C 0.02 HN Overlap>> 1.E35 1.E35 C Shift Assignments>> C :: 178.670 CA :: 55.800 CB :: 17.312 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.270(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.765(D) Ave N Shift Values>> N :: 123.23(3.54) 1.V117 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.59 P 0.29 C 0.09 I 0.01 C Shift Assignments>> C :: 179.001 CA :: 66.000 CB :: 31.983 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 :: 8.224(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 :: 116.658(D) Ave N Shift Values>> N :: 121.14(4.54) 1.E118 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.18 W 0.17 E 0.13 R 0.1 H 0.1 Q 0.08 K 0.08 I 0.06 V 0.03 M 0.02 C Shift Assignments>> C :: 178.860 CA :: 59.290 CB :: 29.828 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 :: 7.484(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 :: 120.152(D) Ave N Shift Values>> N :: 120.67(3.48) 1.I119 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.77 C 0.15 V 0.04 Y 0.01 F 0.01 C Shift Assignments>> C :: 178.570 CA :: 66.470 CB :: 37.576 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 :: 8.908(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 :: 119.921(D) Ave N Shift Values>> N :: 121.46(4.28) 1.E120 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.27 C 0.22 W 0.14 K 0.07 E 0.07 Q 0.05 H 0.05 R 0.04 P 0.02 V 0.02 C Shift Assignments>> C :: 177.880 CA :: 60.713 CB :: 28.728 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 :: 8.396(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 :: 124.111(D) Ave N Shift Values>> N :: 120.67(3.48) 1.E121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.18 W 0.16 E 0.12 K 0.1 H 0.09 R 0.09 Q 0.09 I 0.09 V 0.02 M 0.02 HN Overlap>> 1.L153 1.L153 C Shift Assignments>> C :: 179.570 CA :: 59.390 CB :: 29.461 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 :: 7.716 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 :: 117.822 Ave N Shift Values>> N :: 120.67(3.48) 1.Q122 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.2 C 0.16 L 0.11 Q 0.11 W 0.09 I 0.09 H 0.07 K 0.06 E 0.06 C Shift Assignments>> C :: 179.100 CA :: 58.030 CB :: 27.306 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 :: 8.988(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 :: 115.907(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T123 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 HN Overlap>> 1.T14 1.T14 C Shift Assignments>> C :: 175.487 CA :: 61.600 CB :: 71.136 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 :: 8.482(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 :: 115.975(D) Ave N Shift Values>> N :: 115.42(4.75) 1.K124 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.25 V 0.18 W 0.13 R 0.08 E 0.07 K 0.07 H 0.06 M 0.04 P 0.04 Q 0.02 I 0.02 C Shift Assignments>> C :: 179.690 CA :: 60.365 CB :: 31.524 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 :: 7.187(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 :: 120.984(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.16 C 0.16 E 0.14 R 0.11 H 0.11 Q 0.09 K 0.08 I 0.04 M 0.03 V 0.02 C Shift Assignments>> C :: 179.761 CA :: 58.829 CB :: 29.900 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 :: 7.669 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 :: 118.839 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.L126 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.29 Y 0.27 C 0.13 I 0.08 L 0.08 D 0.07 K 0.02 N 0.01 C Shift Assignments>> C :: 178.200 CA :: 57.860 CB :: 40.052 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 :: 8.768(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 :: 123.083(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L127 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.3 Y 0.27 C 0.13 I 0.12 L 0.06 K 0.05 D 0.04 C Shift Assignments>> C :: 177.780 CA :: 58.780 CB :: 40.464 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 :: 8.466(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 :: 121.015(D) Ave N Shift Values>> N :: 121.86(3.9) 1.E128 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.18 W 0.16 E 0.12 I 0.1 K 0.1 H 0.08 Q 0.08 R 0.08 V 0.02 M 0.01 C Shift Assignments>> C :: 179.980 CA :: 59.560 CB :: 29.324 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 :: 7.944(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 :: 118.237(D) Ave N Shift Values>> N :: 120.67(3.48) 1.G129 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.83 C 0.07 L 0.04 A 0.01 P 0.01 C Shift Assignments>> C :: 176.023 CA :: 47.284 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.977(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.169(D) Ave N Shift Values>> N :: 109.67(3.87) 1.M130 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.16 K 0.15 H 0.14 W 0.12 C 0.11 E 0.11 R 0.1 M 0.03 L 0.02 I 0.01 C Shift Assignments>> C :: 179.090 CA :: 55.660 CB :: 28.911 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 :: 8.756(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 :: 119.572(D) Ave N Shift Values>> N :: 120.09(3.57) 1.E131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 I 0.19 W 0.15 K 0.09 E 0.09 Q 0.06 H 0.06 R 0.06 V 0.02 M 0.01 HN Overlap>> 1.V134 1.C174 1.V134 1.C174 C Shift Assignments>> C :: 180.100 CA :: 60.190 CB :: 28.957 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 :: 8.646 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 :: 119.314 Ave N Shift Values>> N :: 120.67(3.48) 1.L132 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.22 K 0.21 Y 0.17 L 0.13 C 0.09 D 0.07 I 0.04 R 0.03 C Shift Assignments>> C :: 179.960 CA :: 57.960 CB :: 41.427 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 :: 7.598(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 :: 120.575(D) Ave N Shift Values>> N :: 121.86(3.9) 1.I133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.77 C 0.15 V 0.04 Y 0.01 F 0.01 HN Overlap>> 1.V13 1.Y28 1.V13 1.Y28 C Shift Assignments>> C :: 178.123 CA :: 66.680 CB :: 37.622 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 :: 7.897 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 :: 120.662 Ave N Shift Values>> N :: 121.46(4.28) 1.V134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.8 C 0.09 P 0.06 I 0.02 HN Overlap>> 1.E131 1.E131 C Shift Assignments>> C :: 177.610 CA :: 67.820 CB :: 31.590 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 :: 8.698 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 :: 119.233 Ave N Shift Values>> N :: 121.14(4.54) 1.S135 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.860 CA :: 61.570 CB :: 63.204 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.775(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 :: 112.272(D) Ave N Shift Values>> N :: 116.28(3.52) 1.Q136 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.14 E 0.14 Q 0.13 K 0.13 H 0.12 C 0.12 R 0.11 M 0.03 I 0.02 C Shift Assignments>> C :: 177.240 CA :: 57.410 CB :: 29.461 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 :: 7.425(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 :: 116.782(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V137 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.49 P 0.34 C 0.13 W 0.01 C Shift Assignments>> C :: 175.470 CA :: 63.930 CB :: 32.946 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 :: 7.971(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 :: 115.929(D) Ave N Shift Values>> N :: 121.14(4.54) 1.H138 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.18 R 0.15 C 0.13 Q 0.13 W 0.12 M 0.1 E 0.09 K 0.06 C Shift Assignments>> C :: 172.340 CA :: 53.990 CB :: 30.332 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 :: 8.548(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 :: 117.666(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.P139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.44 V 0.41 C 0.1 I 0.01 W 0.01 C Shift Assignments>> CA :: 64.490 CB :: 31.850 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.E140 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.16 Q 0.15 W 0.13 C 0.12 E 0.12 H 0.12 R 0.09 I 0.03 L 0.02 M 0.02 C Shift Assignments>> C :: 176.605 CA :: 57.152 CB :: 28.728 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.066(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 :: 119.055(D) Ave N Shift Values>> N :: 120.67(3.48) 1.T141 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> CA :: 63.040 CB :: 69.623 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.926(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 :: 116.662(D) Ave N Shift Values>> N :: 115.42(4.75) 1.K142 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.2 K 0.18 C 0.15 Q 0.12 R 0.1 H 0.09 W 0.06 E 0.04 V 0.01 C Shift Assignments>> C :: 176.349 CA :: 55.980 CB :: 32.716 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 :: 124.839(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E143 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.14 E 0.14 R 0.13 W 0.13 Q 0.13 C 0.12 K 0.09 M 0.05 I 0.01 HN Overlap>> 1.C4 1.I87 1.C4 1.I87 C Shift Assignments>> C :: 176.093 CA :: 56.680 CB :: 30.011 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 :: 8.349(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 :: 121.198(D) Ave N Shift Values>> N :: 120.67(3.48) 1.N144 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.49 D 0.18 C 0.09 Y 0.08 F 0.08 L 0.05 C Shift Assignments>> C :: 174.848 CA :: 53.393 CB :: 38.840 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 :: 8.329(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 :: 119.071(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.15 R 0.14 E 0.14 W 0.13 Q 0.13 C 0.12 K 0.08 M 0.06 C Shift Assignments>> C :: 176.020 CA :: 56.520 CB :: 30.149 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 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 :: 121.632 Ave N Shift Values>> N :: 120.67(3.48) 1.I146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.39 Y 0.21 C 0.19 F 0.17 E 0.01 C Shift Assignments>> C :: 174.870 CA :: 60.810 CB :: 38.355 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 :: 7.982 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 :: 121.376 Ave N Shift Values>> N :: 121.46(4.28) 1.Y147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.31 C 0.18 Y 0.14 F 0.11 E 0.08 D 0.06 M 0.04 L 0.02 I 0.01 HN Overlap>> 1.L63 1.L63 C Shift Assignments>> C :: 172.790 CA :: 54.791 CB :: 37.714 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 :: 7.426 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 :: 122.542 Ave N Shift Values>> N :: 120.52(4.2) 1.P148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.38 V 0.38 C 0.15 W 0.02 I 0.01 C Shift Assignments>> CA :: 62.930 CB :: 32.110 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.V149 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.42 C 0.24 P 0.17 W 0.03 K 0.03 R 0.01 Q 0.01 M 0.01 H 0.01 HN Overlap>> 1.A22 1.A22 C Shift Assignments>> C :: 175.980 CA :: 61.890 CB :: 32.991 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 :: 8.143(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 :: 122.004(D) Ave N Shift Values>> N :: 121.14(4.54) 1.W150 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.15 Q 0.15 C 0.13 W 0.12 E 0.11 H 0.11 R 0.09 L 0.04 I 0.04 M 0.01 C Shift Assignments>> C :: 175.910 CA :: 57.210 CB :: 28.453 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 :: 8.757(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 :: 127.472(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.S151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> CA :: 57.450 CB :: 63.160 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) 1.G152 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.23 L 0.22 D 0.15 F 0.13 Y 0.09 R 0.07 C 0.06 N 0.01 I 0.01 HN Overlap>> 1.E121 1.E121 C Shift Assignments>> CA :: 56.350 CB :: 41.780 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 :: 7.641 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 :: 117.743 Ave N Shift Values>> N :: 121.86(3.9) 1.P154 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.019 CA :: 60.774 CB :: 62.543 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.457 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 :: 112.408 Ave N Shift Values>> N :: 116.28(3.52) 1.L156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.19 F 0.18 D 0.17 Y 0.15 K 0.14 C 0.08 N 0.02 I 0.02 R 0.01 C Shift Assignments>> CA :: 56.458 CB :: 41.042 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 :: 7.545 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 :: 119.093 Ave N Shift Values>> N :: 121.86(3.9) 1.Q157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.13 M 0.1 H 0.09 D 0.08 Q 0.08 R 0.08 K 0.07 W 0.05 C 0.05 E 0.05 F 0.04 Y 0.04 N 0.03 A 0.02 S 0.01 C Shift Assignments>> CA :: 55.581 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 :: 7.336 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 :: 114.253 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.M158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.2 K 0.18 C 0.16 Q 0.15 R 0.09 H 0.08 W 0.05 E 0.03 V 0.01 C Shift Assignments>> C :: 175.675 CA :: 56.030 CB :: 32.968 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 :: 7.066 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 :: 118.957 Ave N Shift Values>> N :: 120.09(3.57) 1.A159 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.74 M 0.21 C 0.02 C Shift Assignments>> C :: 178.089 CA :: 53.683 CB :: 18.895 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.224(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.144(D) Ave N Shift Values>> N :: 123.23(3.54) 1.D160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 D 0.26 K 0.14 R 0.1 F 0.06 C 0.04 N 0.04 Y 0.04 HN Overlap>> 1.V85 1.V85 C Shift Assignments>> C :: 175.598 CA :: 53.943 CB :: 42.198 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 :: 7.815 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 :: 117.077 Ave N Shift Values>> N :: 120.65(3.86) 1.E161 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate 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 :: 177.740 CA :: 60.458 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 :: 8.714(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 :: 125.993(D) Ave N Shift Values>> N :: 120.67(3.48) 1.E162 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.23 C 0.21 W 0.14 K 0.09 E 0.08 Q 0.06 H 0.06 R 0.05 V 0.02 P 0.01 C Shift Assignments>> C :: 179.400 CA :: 60.370 CB :: 28.774 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 :: 8.537(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 :: 117.931(D) Ave N Shift Values>> N :: 120.67(3.48) 1.S163 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 176.940 CA :: 62.013 CB :: 62.770 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.042(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.821(D) Ave N Shift Values>> N :: 116.28(3.52) 1.R164 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.22 W 0.17 E 0.11 R 0.1 H 0.08 V 0.07 I 0.06 Q 0.06 K 0.04 M 0.03 C Shift Assignments>> C :: 178.328 CA :: 59.944 CB :: 30.332 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 :: 8.297(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 :: 124.033(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.L165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.2 K 0.18 C 0.1 L 0.1 I 0.06 D 0.04 R 0.02 C Shift Assignments>> C :: 179.871 CA :: 58.550 CB :: 41.290 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 :: 8.752 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 :: 117.519 Ave N Shift Values>> N :: 121.86(3.9) 1.S166 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 176.264 CA :: 61.880 CB :: 62.720 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.994(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 :: 113.482(D) Ave N Shift Values>> N :: 116.28(3.52) 1.A167 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.55 A 0.35 I 0.04 C 0.03 C Shift Assignments>> C :: 181.650 CA :: 55.420 CB :: 18.229 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.853(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.871(D) Ave N Shift Values>> N :: 123.23(3.54) 1.Y168 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.14 Y 0.11 F 0.11 HN Overlap>> 1.D20 1.D20 C Shift Assignments>> C :: 177.200 CA :: 62.975 CB :: 39.272 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 :: 8.451 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 :: 119.513 Ave N Shift Values>> N :: 120.52(4.2) 1.Y169 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.6 C 0.15 Y 0.12 F 0.11 C Shift Assignments>> C :: 177.260 CA :: 62.730 CB :: 38.814 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 :: 8.707(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 :: 119.881(D) Ave N Shift Values>> N :: 120.52(4.2) 1.N170 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.27 C 0.14 D 0.09 L 0.07 I 0.06 N 0.04 C Shift Assignments>> C :: 177.310 CA :: 57.080 CB :: 39.390 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 :: 8.476 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 :: 115.781 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L171 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.22 F 0.2 Y 0.14 R 0.14 L 0.1 C 0.1 I 0.04 D 0.02 C Shift Assignments>> C :: 178.800 CA :: 59.040 CB :: 42.252 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 :: 8.065(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 :: 121.568(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L172 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.24 Y 0.19 K 0.17 L 0.13 C 0.1 D 0.07 I 0.05 R 0.01 C Shift Assignments>> C :: 179.940 CA :: 57.930 CB :: 41.152 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 :: 8.506(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 :: 117.555(D) Ave N Shift Values>> N :: 121.86(3.9) 1.H173 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.24 W 0.16 V 0.12 E 0.09 R 0.08 I 0.07 H 0.07 Q 0.04 K 0.03 P 0.03 M 0.02 C Shift Assignments>> C :: 178.507 CA :: 60.570 CB :: 30.510 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 :: 8.909(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 :: 122.699(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.C174 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.29 F 0.27 I 0.22 C 0.16 L 0.01 D 0.01 HN Overlap>> 1.E131 1.E131 C Shift Assignments>> C :: 175.840 CA :: 59.430 CB :: 39.260 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.574(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 :: 119.395(D) Ave N Shift Values>> N :: 120.17(4.64) 1.L175 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.29 Y 0.27 C 0.13 L 0.09 D 0.08 I 0.08 K 0.02 N 0.01 C Shift Assignments>> C :: 179.070 CA :: 57.790 CB :: 40.143 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 :: 8.651(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 :: 123.624(D) Ave N Shift Values>> N :: 121.86(3.9) 1.R176 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.18 W 0.16 E 0.11 I 0.11 K 0.11 Q 0.08 H 0.08 R 0.08 V 0.02 M 0.01 C Shift Assignments>> C :: 177.620 CA :: 59.575 CB :: 29.232 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 :: 7.855(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 :: 121.861(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.R177 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.17 W 0.17 E 0.13 R 0.11 H 0.1 Q 0.09 K 0.08 I 0.05 M 0.03 V 0.02 C Shift Assignments>> C :: 179.460 CA :: 59.110 CB :: 29.920 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 :: 7.775 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 :: 119.127 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.D178 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.3 F 0.26 C 0.17 I 0.1 D 0.05 L 0.03 N 0.03 E 0.02 C Shift Assignments>> C :: 178.570 CA :: 57.590 CB :: 38.830 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 :: 8.940(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 :: 121.484(D) Ave N Shift Values>> N :: 120.65(3.86) 1.S179 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.25 V 0.24 I 0.2 P 0.12 C 0.05 F 0.02 Y 0.02 S 0.02 W 0.01 HN Overlap>> 1.S33 1.S33 C Shift Assignments>> CA :: 62.310 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.610(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.492(D) Ave N Shift Values>> N :: 116.28(3.52) 1.H180 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.18 W 0.17 E 0.14 R 0.11 H 0.1 Q 0.08 K 0.07 I 0.04 M 0.03 V 0.03 C Shift Assignments>> C :: 176.792 CA :: 59.065 CB :: 30.091 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 :: 7.687(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 :: 125.007(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.K181 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.23 V 0.14 W 0.13 R 0.09 K 0.09 E 0.08 H 0.07 M 0.06 Q 0.03 P 0.01 I 0.01 C Shift Assignments>> C :: 177.100 CA :: 59.790 CB :: 31.651 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 :: 7.666(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 :: 118.598(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I182 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.66 C 0.2 V 0.08 Y 0.02 F 0.01 HN Overlap>> 1.S57 1.Q73 1.S57 1.Q73 C Shift Assignments>> C :: 176.740 CA :: 65.149 CB :: 36.997 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 :: 8.083(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 :: 115.449(D) Ave N Shift Values>> N :: 121.46(4.28) 1.D183 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.23 L 0.17 R 0.17 F 0.14 Y 0.1 C 0.07 D 0.06 I 0.01 C Shift Assignments>> C :: 177.420 CA :: 57.694 CB :: 42.350 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 :: 7.322(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 :: 118.171(D) Ave N Shift Values>> N :: 120.65(3.86) 1.N184 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.24 F 0.2 C 0.18 N 0.11 D 0.07 E 0.06 I 0.05 L 0.03 M 0.02 C Shift Assignments>> C :: 178.840 CA :: 56.350 CB :: 38.280 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 :: 7.778 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 :: 115.660 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Y185 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.26 C 0.24 Y 0.17 F 0.11 I 0.06 M 0.06 N 0.02 K 0.02 C Shift Assignments>> C :: 178.370 CA :: 57.380 CB :: 36.934 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 :: 9.035(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 :: 119.392(D) Ave N Shift Values>> N :: 120.52(4.2) 1.L186 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.25 Y 0.2 K 0.18 L 0.1 C 0.1 I 0.06 D 0.05 R 0.02 C Shift Assignments>> C :: 179.078 CA :: 58.460 CB :: 41.290 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 :: 8.846(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 :: 120.402(D) Ave N Shift Values>> N :: 121.86(3.9) 1.K187 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.26 V 0.24 W 0.11 K 0.07 P 0.06 R 0.06 E 0.05 H 0.04 M 0.04 Q 0.01 I 0.01 C Shift Assignments>> C :: 179.735 CA :: 60.637 CB :: 31.891 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 :: 7.828(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 :: 118.750(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L188 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.23 K 0.19 Y 0.18 L 0.13 C 0.09 D 0.07 I 0.04 R 0.02 C Shift Assignments>> C :: 179.750 CA :: 58.020 CB :: 41.290 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 :: 7.678(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 :: 120.666(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L189 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.24 F 0.2 Y 0.15 L 0.14 C 0.08 D 0.06 R 0.05 I 0.03 C Shift Assignments>> C :: 178.000 CA :: 57.980 CB :: 41.656 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 :: 8.626 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 :: 120.550 Ave N Shift Values>> N :: 121.86(3.9) 1.K190 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.26 V 0.2 W 0.11 K 0.09 R 0.07 H 0.05 E 0.05 M 0.05 P 0.03 Q 0.02 HN Overlap>> 1.L32 1.L32 C Shift Assignments>> C :: 178.100 CA :: 60.190 CB :: 32.074 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 :: 8.523(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 :: 120.094(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.C191 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.26 Y 0.2 K 0.15 I 0.14 C 0.13 L 0.04 R 0.03 D 0.01 C Shift Assignments>> C :: 176.443 CA :: 60.200 CB :: 41.611 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.648(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 :: 116.290(D) Ave N Shift Values>> N :: 120.17(4.64) 1.R192 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.21 W 0.16 E 0.11 R 0.11 H 0.09 V 0.08 K 0.06 Q 0.05 M 0.05 I 0.02 C Shift Assignments>> C :: 177.841 CA :: 59.600 CB :: 30.974 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 :: 8.012(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 :: 118.478(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.I193 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 C 0.17 Y 0.06 F 0.05 V 0.01 C Shift Assignments>> C :: 176.790 CA :: 63.900 CB :: 37.897 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 :: 8.227 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 :: 116.182 Ave N Shift Values>> N :: 121.46(4.28) 1.I194 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.35 E 0.15 I 0.14 V 0.1 Y 0.07 K 0.04 M 0.04 F 0.03 Q 0.02 C Shift Assignments>> C :: 176.827 CA :: 60.360 CB :: 35.607 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 :: 7.800(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 :: 116.819(D) Ave N Shift Values>> N :: 121.46(4.28) 1.H195 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.15 Q 0.14 R 0.14 E 0.13 W 0.13 C 0.11 K 0.09 M 0.06 C Shift Assignments>> C :: 175.752 CA :: 55.947 CB :: 29.920 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 :: 7.088 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 :: 115.297 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.N196 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.37 C 0.17 Y 0.12 F 0.09 E 0.07 D 0.07 M 0.03 L 0.02 I 0.01 HN Overlap>> 1.F50 1.F50 C Shift Assignments>> C :: 174.225 CA :: 54.440 CB :: 37.720 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 :: 7.686 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 :: 117.541 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N197 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.37 D 0.15 Y 0.13 C 0.12 F 0.12 L 0.05 E 0.01 M 0.01 I 0.01 C Shift Assignments>> CA :: 54.408 CB :: 38.630 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 :: 8.360(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 :: 111.877(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N198 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.55 C 0.11 D 0.1 Y 0.07 F 0.06 L 0.02 E 0.02 M 0.01 C Shift Assignments>> C :: 173.850 CA :: 53.218 CB :: 38.130 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 :: 7.961(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 :: 118.754(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.C199 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.47 L 0.24 R 0.11 C 0.07 F 0.04 Y 0.02 D 0.02 HN Overlap>> 1.A8 1.A8 C Shift Assignments>> C :: 178.440 CA :: 56.831 CB :: 44.820 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.725(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 :: 122.737(D) Ave N Shift Values>> N :: 120.17(4.64) ########################################################################### Overall Results: #Consistent: 74 #Clerical: 124 #Suspicious: 0 #Anomalous: 0 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 191 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 7 Shift Relative Order (SRO) Results: #Consistent: 199 #Suspicious: 0 C Shift Results: #Consistent: 547 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 53 #Duplicate: 124 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 53 #Duplicate: 124 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.I3 H = 8.104(D), Expected = 8.28, Std = 0.6800, ChiSquare = 7.9577e-01 1.I3 N = 119.921(D), Expected = 121.46, Std = 4.2800, ChiSquare = 7.1916e-01 1.C4 H = 8.305(D), Expected = 8.39, Std = 0.6700, ChiSquare = 8.9905e-01 1.C4 N = 121.102(D), Expected = 120.17, Std = 4.6400, ChiSquare = 8.4081e-01 1.G7 H = 8.146(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.7712e-01 1.G7 N = 108.491(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.6063e-01 1.A8 H = 7.723(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.2661e-01 1.A8 N = 122.774(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.9751e-01 1.R10 H = 7.855(D), Expected = 8.24, Std = 0.6100, ChiSquare = 5.2794e-01 1.R10 N = 115.554(D), Expected = 120.80, Std = 3.6800, ChiSquare = 1.5400e-01 1.C11 H = 8.065(D), Expected = 8.39, Std = 0.6700, ChiSquare = 6.2762e-01 1.C11 N = 117.540(D), Expected = 120.17, Std = 4.6400, ChiSquare = 5.7084e-01 1.V13 H = 7.917(D), Expected = 8.29, Std = 0.6700, ChiSquare = 5.7772e-01 1.V13 N = 120.746(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.3084e-01 1.T14 H = 8.487(D), Expected = 8.24, Std = 0.6200, ChiSquare = 6.9034e-01 1.T14 N = 116.036(D), Expected = 115.42, Std = 4.7500, ChiSquare = 8.9682e-01 1.L15 H = 8.561(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.1059e-01 1.L15 N = 121.917(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.8834e-01 1.R16 H = 8.283(D), Expected = 8.24, Std = 0.6100, ChiSquare = 9.4380e-01 1.R16 N = 117.703(D), Expected = 120.80, Std = 3.6800, ChiSquare = 4.0003e-01 1.D17 H = 7.581(D), Expected = 8.31, Std = 0.5800, ChiSquare = 2.0879e-01 1.D17 N = 118.730(D), Expected = 120.65, Std = 3.8600, ChiSquare = 6.1890e-01 1.F19 H = 8.538(D), Expected = 8.36, Std = 0.7200, ChiSquare = 8.0474e-01 1.F19 N = 118.711(D), Expected = 120.45, Std = 4.1800, ChiSquare = 6.7739e-01 1.A22 H = 8.143(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.2432e-01 1.A22 N = 121.980(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.2401e-01 1.V23 Typing: Mistyped 1.V23 CB = 40.602(S), Expected = 32.73, Std = 1.7900, ChiSquare = 1.0937e-05 1.L25 H = 7.858(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.6711e-01 1.L25 N = 120.053(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.4313e-01 1.S26 H = 9.283(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.9131e-02 1.S26 N = 115.520(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.2906e-01 1.H27 H = 7.998(D), Expected = 8.24, Std = 0.6800, ChiSquare = 7.2193e-01 1.H27 N = 124.886(D), Expected = 119.69, Std = 4.0000, ChiSquare = 1.9394e-01 1.Y28 H = 7.944(D), Expected = 8.32, Std = 0.7300, ChiSquare = 6.0651e-01 1.Y28 N = 120.630(D), Expected = 120.52, Std = 4.2000, ChiSquare = 9.7911e-01 1.H30 H = 8.197(D), Expected = 8.24, Std = 0.6800, ChiSquare = 9.4958e-01 1.H30 N = 120.138(D), Expected = 119.69, Std = 4.0000, ChiSquare = 9.1082e-01 1.N31 H = 8.130(D), Expected = 8.34, Std = 0.6300, ChiSquare = 7.3888e-01 1.N31 N = 120.582(D), Expected = 118.93, Std = 4.0300, ChiSquare = 6.8186e-01 1.L32 H = 8.538(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.3561e-01 1.L32 N = 120.182(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.6701e-01 1.S33 H = 8.553(D), Expected = 8.28, Std = 0.5900, ChiSquare = 6.4357e-01 1.S33 N = 115.532(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.3172e-01 1.S34 H = 8.042(D), Expected = 8.28, Std = 0.5900, ChiSquare = 6.8666e-01 1.S34 N = 120.510(D), Expected = 116.28, Std = 3.5200, ChiSquare = 2.2948e-01 1.F37 H = 7.975(D), Expected = 8.36, Std = 0.7200, ChiSquare = 5.9284e-01 1.F37 N = 117.348(D), Expected = 120.45, Std = 4.1800, ChiSquare = 4.5802e-01 1.S38 H = 8.186(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.7342e-01 1.S38 N = 113.754(D), Expected = 116.28, Std = 3.5200, ChiSquare = 4.7300e-01 1.D41 H = 8.664(D), Expected = 8.31, Std = 0.5800, ChiSquare = 5.4163e-01 1.D41 N = 119.653(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.9618e-01 1.K42 H = 8.037(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.9872e-01 1.K42 N = 116.566(D), Expected = 121.05, Std = 3.7700, ChiSquare = 2.3429e-01 1.R43 H = 7.290(D), Expected = 8.24, Std = 0.6100, ChiSquare = 1.1938e-01 1.R43 N = 115.520(D), Expected = 120.80, Std = 3.6800, ChiSquare = 1.5135e-01 1.Y44 H = 8.067(D), Expected = 8.32, Std = 0.7300, ChiSquare = 7.2891e-01 1.Y44 N = 114.102(D), Expected = 120.52, Std = 4.2000, ChiSquare = 1.2649e-01 1.T45 H = 7.640(D), Expected = 8.24, Std = 0.6200, ChiSquare = 3.3317e-01 1.T45 N = 108.244(D), Expected = 115.42, Std = 4.7500, ChiSquare = 1.3086e-01 1.I51 H = 7.554(D), Expected = 8.28, Std = 0.6800, ChiSquare = 2.8568e-01 1.I51 N = 120.787(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.7505e-01 1.T52 H = 7.780(D), Expected = 8.24, Std = 0.6200, ChiSquare = 4.5813e-01 1.T52 N = 115.342(D), Expected = 115.42, Std = 4.7500, ChiSquare = 9.8690e-01 1.K53 H = 7.835(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.5407e-01 1.K53 N = 121.297(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.4776e-01 1.I55 H = 7.876(D), Expected = 8.28, Std = 0.6800, ChiSquare = 5.5243e-01 1.I55 N = 118.574(D), Expected = 121.46, Std = 4.2800, ChiSquare = 5.0012e-01 1.S57 H = 8.119(D), Expected = 8.28, Std = 0.5900, ChiSquare = 7.8494e-01 1.S57 N = 115.399(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.0237e-01 1.S61 H = 7.879(D), Expected = 8.28, Std = 0.5900, ChiSquare = 4.9672e-01 1.S61 N = 117.751(D), Expected = 116.28, Std = 3.5200, ChiSquare = 6.7602e-01 1.L63 H = 7.477(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.4668e-01 1.L63 N = 122.557(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.5816e-01 1.A64 H = 8.298(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.7026e-01 1.A64 N = 126.186(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.0370e-01 1.E67 H = 8.726(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.0210e-01 1.E67 N = 123.408(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.3141e-01 1.D68 H = 7.556(D), Expected = 8.31, Std = 0.5800, ChiSquare = 1.9360e-01 1.D68 N = 116.144(D), Expected = 120.65, Std = 3.8600, ChiSquare = 2.4307e-01 1.E70 H = 8.267(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.1496e-01 1.E70 N = 120.271(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.0872e-01 1.Q71 H = 8.495(D), Expected = 8.22, Std = 0.5900, ChiSquare = 6.4114e-01 1.Q71 N = 118.240(D), Expected = 119.89, Std = 3.6000, ChiSquare = 6.4671e-01 1.Q73 H = 8.019(D), Expected = 8.22, Std = 0.5900, ChiSquare = 7.3335e-01 1.Q73 N = 115.400(D), Expected = 119.89, Std = 3.6000, ChiSquare = 2.1232e-01 1.Q74 H = 7.344(D), Expected = 8.22, Std = 0.5900, ChiSquare = 1.3761e-01 1.Q74 N = 114.638(D), Expected = 119.89, Std = 3.6000, ChiSquare = 1.4460e-01 1.M75 H = 7.236(D), Expected = 8.26, Std = 0.6000, ChiSquare = 8.7884e-02 1.M75 N = 119.819(D), Expected = 120.09, Std = 3.5700, ChiSquare = 9.3949e-01 1.N76 H = 8.939(D), Expected = 8.34, Std = 0.6300, ChiSquare = 3.4171e-01 1.N76 N = 123.480(D), Expected = 118.93, Std = 4.0300, ChiSquare = 2.5888e-01 1.D79 H = 7.862(D), Expected = 8.31, Std = 0.5800, ChiSquare = 4.3987e-01 1.D79 N = 119.632(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.9199e-01 1.L81 H = 8.299(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.1546e-01 1.L81 N = 118.026(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.2557e-01 1.S86 H = 8.437(D), Expected = 8.28, Std = 0.5900, ChiSquare = 7.9016e-01 1.S86 N = 115.546(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.3482e-01 1.L88 H = 8.090(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.2947e-01 1.L88 N = 118.815(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.3494e-01 1.R89 H = 8.938(D), Expected = 8.24, Std = 0.6100, ChiSquare = 2.5251e-01 1.R89 N = 117.695(D), Expected = 120.80, Std = 3.6800, ChiSquare = 3.9881e-01 1.S90 H = 7.843(D), Expected = 8.28, Std = 0.5900, ChiSquare = 4.5889e-01 1.S90 N = 113.839(D), Expected = 116.28, Std = 3.5200, ChiSquare = 4.8802e-01 1.W91 H = 7.707(D), Expected = 8.29, Std = 0.7900, ChiSquare = 4.6053e-01 1.W91 N = 121.165(D), Expected = 121.68, Std = 4.1800, ChiSquare = 9.0194e-01 1.N92 H = 7.291(D), Expected = 8.34, Std = 0.6300, ChiSquare = 9.5897e-02 1.N92 N = 119.260(D), Expected = 118.93, Std = 4.0300, ChiSquare = 9.3474e-01 1.E93 H = 9.155(D), Expected = 8.33, Std = 0.5900, ChiSquare = 1.6202e-01 1.E93 N = 118.923(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.1566e-01 1.L95 H = 7.767(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.7627e-01 1.L95 N = 113.351(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.9125e-02 1.Y96 H = 7.761(D), Expected = 8.32, Std = 0.7300, ChiSquare = 4.4382e-01 1.Y96 N = 119.753(D), Expected = 120.52, Std = 4.2000, ChiSquare = 8.5510e-01 1.H97 H = 8.163(D), Expected = 8.24, Std = 0.6800, ChiSquare = 9.0984e-01 1.H97 N = 119.091(D), Expected = 119.69, Std = 4.0000, ChiSquare = 8.8096e-01 1.L98 H = 8.783(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.9490e-01 1.L98 N = 121.604(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.4766e-01 1.E101 H = 8.844(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.8365e-01 1.E101 N = 120.828(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.6379e-01 1.R103 H = 8.189(D), Expected = 8.24, Std = 0.6100, ChiSquare = 9.3337e-01 1.R103 N = 118.682(D), Expected = 120.80, Std = 3.6800, ChiSquare = 5.6492e-01 1.G104 H = 7.397(D), Expected = 8.33, Std = 0.6500, ChiSquare = 1.5118e-01 1.G104 N = 103.228(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.5993e-02 1.Q106 H = 8.581(D), Expected = 8.22, Std = 0.5900, ChiSquare = 5.4063e-01 1.Q106 N = 123.131(D), Expected = 119.89, Std = 3.6000, ChiSquare = 3.6797e-01 1.E107 H = 8.630(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.1112e-01 1.E107 N = 118.622(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.5619e-01 1.A108 H = 7.760(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.6336e-01 1.A108 N = 124.039(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.1923e-01 1.I112 H = 7.231(D), Expected = 8.28, Std = 0.6800, ChiSquare = 1.2292e-01 1.I112 N = 113.845(D), Expected = 121.46, Std = 4.2800, ChiSquare = 7.5206e-02 1.L113 H = 7.807(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.1520e-01 1.L113 N = 120.065(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.4533e-01 1.S114 H = 8.439(D), Expected = 8.28, Std = 0.5900, ChiSquare = 7.8755e-01 1.S114 N = 110.864(D), Expected = 116.28, Std = 3.5200, ChiSquare = 1.2389e-01 1.K115 H = 7.198(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.8263e-02 1.K115 N = 120.424(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.6812e-01 1.A116 H = 8.270(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.0712e-01 1.A116 N = 122.765(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.9549e-01 1.V117 H = 8.224(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.2153e-01 1.V117 N = 116.658(D), Expected = 121.14, Std = 4.5400, ChiSquare = 3.2353e-01 1.E118 H = 7.484(D), Expected = 8.33, Std = 0.5900, ChiSquare = 1.5160e-01 1.E118 N = 120.152(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.8167e-01 1.I119 H = 8.908(D), Expected = 8.28, Std = 0.6800, ChiSquare = 3.5573e-01 1.I119 N = 119.921(D), Expected = 121.46, Std = 4.2800, ChiSquare = 7.1916e-01 1.E120 H = 8.396(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.1093e-01 1.E120 N = 124.111(D), Expected = 120.67, Std = 3.4800, ChiSquare = 3.2276e-01 1.Q122 H = 8.988(D), Expected = 8.22, Std = 0.5900, ChiSquare = 1.9302e-01 1.Q122 N = 115.907(D), Expected = 119.89, Std = 3.6000, ChiSquare = 2.6856e-01 1.T123 H = 8.482(D), Expected = 8.24, Std = 0.6200, ChiSquare = 6.9630e-01 1.T123 N = 115.975(D), Expected = 115.42, Std = 4.7500, ChiSquare = 9.0699e-01 1.K124 H = 7.187(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.4590e-02 1.K124 N = 120.984(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.8603e-01 1.L126 H = 8.768(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.0785e-01 1.L126 N = 123.083(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.5383e-01 1.L127 H = 8.466(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.1655e-01 1.L127 N = 121.015(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.2847e-01 1.E128 H = 7.944(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.1296e-01 1.E128 N = 118.237(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.8447e-01 1.G129 H = 7.977(D), Expected = 8.33, Std = 0.6500, ChiSquare = 5.8708e-01 1.G129 N = 106.169(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.6565e-01 1.M130 H = 8.756(D), Expected = 8.26, Std = 0.6000, ChiSquare = 4.0843e-01 1.M130 N = 119.572(D), Expected = 120.09, Std = 3.5700, ChiSquare = 8.8463e-01 1.L132 H = 7.598(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.3090e-01 1.L132 N = 120.575(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.4179e-01 1.S135 H = 7.775(D), Expected = 8.28, Std = 0.5900, ChiSquare = 3.9204e-01 1.S135 N = 112.272(D), Expected = 116.28, Std = 3.5200, ChiSquare = 2.5485e-01 1.Q136 H = 7.425(D), Expected = 8.22, Std = 0.5900, ChiSquare = 1.7783e-01 1.Q136 N = 116.782(D), Expected = 119.89, Std = 3.6000, ChiSquare = 3.8795e-01 1.V137 H = 7.971(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.3399e-01 1.V137 N = 115.929(D), Expected = 121.14, Std = 4.5400, ChiSquare = 2.5105e-01 1.H138 H = 8.548(D), Expected = 8.24, Std = 0.6800, ChiSquare = 6.5059e-01 1.H138 N = 117.666(D), Expected = 119.69, Std = 4.0000, ChiSquare = 6.1286e-01 1.E140 H = 9.066(D), Expected = 8.33, Std = 0.5900, ChiSquare = 2.1223e-01 1.E140 N = 119.055(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.4259e-01 1.T141 H = 7.926(D), Expected = 8.24, Std = 0.6200, ChiSquare = 6.1254e-01 1.T141 N = 116.662(D), Expected = 115.42, Std = 4.7500, ChiSquare = 7.9373e-01 1.K142 H = 8.252(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.1770e-01 1.K142 N = 124.839(D), Expected = 121.05, Std = 3.7700, ChiSquare = 3.1488e-01 1.E143 H = 8.349(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.7431e-01 1.E143 N = 121.198(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.7940e-01 1.N144 H = 8.329(D), Expected = 8.34, Std = 0.6300, ChiSquare = 9.8607e-01 1.N144 N = 119.071(D), Expected = 118.93, Std = 4.0300, ChiSquare = 9.7209e-01 1.V149 H = 8.143(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.2634e-01 1.V149 N = 122.004(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.4907e-01 1.W150 H = 8.757(D), Expected = 8.29, Std = 0.7900, ChiSquare = 5.5443e-01 1.W150 N = 127.472(D), Expected = 121.68, Std = 4.1800, ChiSquare = 1.6585e-01 1.A159 H = 8.224(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.6809e-01 1.A159 N = 123.144(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.8062e-01 1.E161 H = 8.714(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.1515e-01 1.E161 N = 125.993(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.2612e-01 1.E162 H = 8.537(D), Expected = 8.33, Std = 0.5900, ChiSquare = 7.2570e-01 1.E162 N = 117.931(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.3124e-01 1.S163 H = 8.042(D), Expected = 8.28, Std = 0.5900, ChiSquare = 6.8666e-01 1.S163 N = 115.821(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.9625e-01 1.R164 H = 8.297(D), Expected = 8.24, Std = 0.6100, ChiSquare = 9.2555e-01 1.R164 N = 124.033(D), Expected = 120.80, Std = 3.6800, ChiSquare = 3.7965e-01 1.S166 H = 7.994(D), Expected = 8.28, Std = 0.5900, ChiSquare = 6.2786e-01 1.S166 N = 113.482(D), Expected = 116.28, Std = 3.5200, ChiSquare = 4.2668e-01 1.A167 H = 7.853(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.6304e-01 1.A167 N = 124.871(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.4296e-01 1.Y169 H = 8.707(D), Expected = 8.32, Std = 0.7300, ChiSquare = 5.9602e-01 1.Y169 N = 119.881(D), Expected = 120.52, Std = 4.2000, ChiSquare = 8.7907e-01 1.L171 H = 8.065(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.9961e-01 1.L171 N = 121.568(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.4032e-01 1.L172 H = 8.506(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.7112e-01 1.L172 N = 117.555(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.6966e-01 1.H173 H = 8.909(D), Expected = 8.24, Std = 0.6800, ChiSquare = 3.2520e-01 1.H173 N = 122.699(D), Expected = 119.69, Std = 4.0000, ChiSquare = 4.5190e-01 1.C174 H = 8.574(D), Expected = 8.39, Std = 0.6700, ChiSquare = 7.8360e-01 1.C174 N = 119.395(D), Expected = 120.17, Std = 4.6400, ChiSquare = 8.6735e-01 1.L175 H = 8.651(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.1718e-01 1.L175 N = 123.624(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.5105e-01 1.R176 H = 7.855(D), Expected = 8.24, Std = 0.6100, ChiSquare = 5.2794e-01 1.R176 N = 121.861(D), Expected = 120.80, Std = 3.6800, ChiSquare = 7.7311e-01 1.D178 H = 8.940(D), Expected = 8.31, Std = 0.5800, ChiSquare = 2.7739e-01 1.D178 N = 121.484(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.2894e-01 1.S179 H = 8.610(D), Expected = 8.28, Std = 0.5900, ChiSquare = 5.7594e-01 1.S179 N = 115.492(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.2286e-01 1.H180 H = 7.687(D), Expected = 8.24, Std = 0.6800, ChiSquare = 4.1608e-01 1.H180 N = 125.007(D), Expected = 119.69, Std = 4.0000, ChiSquare = 1.8377e-01 1.K181 H = 7.666(D), Expected = 8.19, Std = 0.6000, ChiSquare = 3.8248e-01 1.K181 N = 118.598(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.1544e-01 1.I182 H = 8.083(D), Expected = 8.28, Std = 0.6800, ChiSquare = 7.7204e-01 1.I182 N = 115.449(D), Expected = 121.46, Std = 4.2800, ChiSquare = 1.6019e-01 1.D183 H = 7.322(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.8484e-02 1.D183 N = 118.171(D), Expected = 120.65, Std = 3.8600, ChiSquare = 5.2073e-01 1.Y185 H = 9.035(D), Expected = 8.32, Std = 0.7300, ChiSquare = 3.2736e-01 1.Y185 N = 119.392(D), Expected = 120.52, Std = 4.2000, ChiSquare = 7.8826e-01 1.L186 H = 8.846(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.4329e-01 1.L186 N = 120.402(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.0852e-01 1.K187 H = 7.828(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.4629e-01 1.K187 N = 118.750(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.4181e-01 1.L188 H = 7.678(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.9575e-01 1.L188 N = 120.666(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.5949e-01 1.K190 H = 8.523(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.7889e-01 1.K190 N = 120.094(D), Expected = 121.05, Std = 3.7700, ChiSquare = 7.9982e-01 1.C191 H = 7.648(D), Expected = 8.39, Std = 0.6700, ChiSquare = 2.6809e-01 1.C191 N = 116.290(D), Expected = 120.17, Std = 4.6400, ChiSquare = 4.0304e-01 1.R192 H = 8.012(D), Expected = 8.24, Std = 0.6100, ChiSquare = 7.0857e-01 1.R192 N = 118.478(D), Expected = 120.80, Std = 3.6800, ChiSquare = 5.2805e-01 1.I194 H = 7.800(D), Expected = 8.28, Std = 0.6800, ChiSquare = 4.8026e-01 1.I194 N = 116.819(D), Expected = 121.46, Std = 4.2800, ChiSquare = 2.7821e-01 1.N197 H = 8.360(D), Expected = 8.34, Std = 0.6300, ChiSquare = 9.7467e-01 1.N197 N = 111.877(D), Expected = 118.93, Std = 4.0300, ChiSquare = 8.0097e-02 1.N198 H = 7.961(D), Expected = 8.34, Std = 0.6300, ChiSquare = 5.4745e-01 1.N198 N = 118.754(D), Expected = 118.93, Std = 4.0300, ChiSquare = 9.6517e-01 1.C199 H = 7.725(D), Expected = 8.39, Std = 0.6700, ChiSquare = 3.2094e-01 1.C199 N = 122.737(D), Expected = 120.17, Std = 4.6400, ChiSquare = 5.8010e-01