Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> R 0.45 L 0.29 D 0.07 K 0.05 G 0.04 C 0.03 Y 0.03 I 0.01 C Shift Assignments>> C :: 170.599 CA :: 43.1617 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) 1.Q2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 K 0.3 C 0.27 R 0.05 E 0.05 C Shift Assignments>> C :: 176.334 CA :: 56.7757 CB :: 29.013 CG :: 33.5943 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 :: 8.64923 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.12 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.31 K 0.13 Q 0.09 I 0.05 C Shift Assignments>> C :: 176.227 CA :: 56.993 CB :: 29.1636 CG :: 36 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 :: 8.76987 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 :: 120.379 Ave N Shift Values>> N :: 120.67(3.48) 1.D4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 L 0.23 N 0.13 K 0.09 Y 0.08 C 0.06 R 0.01 C Shift Assignments>> C :: 175.999 CA :: 54.3396 CB :: 40.9923 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 :: 7.97767 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 :: 119.623 Ave N Shift Values>> N :: 120.65(3.86) 1.E5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.44 C 0.35 Q 0.08 K 0.08 I 0.02 HN Overlap>> 1.V10 1.V10 C Shift Assignments>> C :: 176.24 CA :: 56.2313 CB :: 30.1833 CG :: 36.1013 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 :: 7.99126 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 :: 120.62 Ave N Shift Values>> N :: 120.67(3.48) 1.E6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.45 C 0.36 Q 0.08 K 0.07 I 0.02 C Shift Assignments>> C :: 176.182 CA :: 56.2336 CB :: 30.2822 CG :: 36.1 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 :: 8.18898 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 :: 121.614 Ave N Shift Values>> N :: 120.67(3.48) 1.E7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.44 C 0.34 K 0.09 Q 0.09 I 0.02 HN Overlap>> 1.R45 1.R45 C Shift Assignments>> C :: 176.102 CA :: 56.0508 CB :: 29.9845 CG :: 36.1005 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 :: 8.30202 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 :: 122.646 Ave N Shift Values>> N :: 120.67(3.48) 1.I8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 C 0.32 HN Overlap>> 1.V78 1.V78 C Shift Assignments>> C :: 175.583 CA :: 60.8801 CB :: 38.7251 CG1 :: 26.999 CG2 :: 17.3505 CD1 :: 12.8039 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 :: 8.04624 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.25 Ave N Shift Values>> N :: 121.46(4.28) 1.D9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 L 0.21 N 0.18 Y 0.08 C 0.06 K 0.06 HN Overlap>> 1.K35 1.K35 C Shift Assignments>> C :: 175.807 CA :: 53.9257 CB :: 40.7717 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 :: 8.28027 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 :: 124.301 Ave N Shift Values>> N :: 120.65(3.86) 1.V10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.67 C 0.32 HN Overlap>> 1.E5 1.E5 C Shift Assignments>> C :: 176.204 CA :: 62.4278 CB :: 32.3102 CG1 :: 20.9724 CG2 :: 20.2333 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 :: 7.93503 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 :: 120.674 Ave N Shift Values>> N :: 121.14(4.54) 1.V11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.69 C 0.3 C Shift Assignments>> C :: 176.271 CA :: 62.5995 CB :: 32.245 CG1 :: 20.8468 CG2 :: 20.8518 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 :: 8.03345 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 :: 123.646 Ave N Shift Values>> N :: 121.14(4.54) 1.S12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.H38 1.S83 1.H38 1.S83 C Shift Assignments>> C :: 174.823 CA :: 58.3217 CB :: 63.4691 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.15272 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 :: 119.413 Ave N Shift Values>> N :: 116.28(3.52) 1.V13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.71 C 0.28 HN Overlap>> 1.L41 1.R16 1.K15 1.L41 1.R16 1.K15 C Shift Assignments>> C :: 176.348 CA :: 62.9781 CB :: 32.2072 CG1 :: 20.743 CG2 :: 20.4261 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 :: 8.04002 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 :: 121.916 Ave N Shift Values>> N :: 121.14(4.54) 1.E14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.33 K 0.11 Q 0.09 I 0.04 HN Overlap>> 1.H47 1.H47 C Shift Assignments>> C :: 176.556 CA :: 56.913 CB :: 29.7167 CG :: 36.0612 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 :: 8.23757 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 :: 122.867 Ave N Shift Values>> N :: 120.67(3.48) 1.K15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.38 R 0.13 HN Overlap>> 1.L41 1.R16 1.L41 1.R16 1.V13 1.V13 C Shift Assignments>> C :: 176.508 CA :: 56.2148 CB :: 32.532 CG :: 24.7411 CD :: 28.8122 CE :: 41.8652 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 :: 8.06318 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 :: 121.915 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.5 C 0.38 G 0.05 K 0.05 HN Overlap>> 1.L41 1.L41 1.K15 1.V13 1.K15 1.V13 C Shift Assignments>> C :: 176.065 CA :: 56.0162 CB :: 30.5831 CG :: 26.9516 CD :: 43.2365 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 :: 8.04904 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 :: 121.915 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.Q17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.35 K 0.3 C 0.24 E 0.04 R 0.03 HN Overlap>> 1.D74 1.D74 C Shift Assignments>> C :: 175.135 CA :: 55.1931(D) CB :: 29.4562(D) CG :: 33.5528(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.22269 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.437 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.98 C Shift Assignments>> C :: 175.284 CA :: 50.3863(D) CB :: 17.7772(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.23966(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.038(D) Ave N Shift Values>> N :: 123.23(3.54) 1.P19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.74 C 0.25 C Shift Assignments>> C :: 177.384 CA :: 63.1706(D) CB :: 31.8416(D) CG :: 27.1988(D) CD :: 50.3282(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.G20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.67 L 0.18 R 0.06 C 0.04 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.784 CA :: 44.7806(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.30399(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.018(D) Ave N Shift Values>> N :: 109.67(3.87) 1.K21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.48 C 0.38 R 0.12 HN Overlap>> 1.R86 1.R86 C Shift Assignments>> C :: 176.612 CA :: 55.9595(D) CB :: 32.8547(D) CG :: 24.4481 CD :: 28.8816 CE :: 41.9288 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 :: 8.00692(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 :: 120.965(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.5 C 0.37 K 0.06 G 0.04 HN Overlap>> 1.E24 1.K63 1.E24 1.K63 C Shift Assignments>> C :: 176.294 CA :: 55.9382(D) CB :: 30.6197(D) CG :: 26.9442 CD :: 43.1294 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 :: 8.33509(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 123.17(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.S23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.512 CA :: 58.1425(D) CB :: 63.5406(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.31076(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 :: 117.543(D) Ave N Shift Values>> N :: 116.28(3.52) 1.E24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.42 C 0.33 K 0.1 Q 0.1 I 0.02 HN Overlap>> 1.R22 1.R22 C Shift Assignments>> C :: 176.453 CA :: 56.2721 CB :: 29.9505 CG :: 35.9978 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 :: 8.41091 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 :: 123.235 Ave N Shift Values>> N :: 120.67(3.48) 1.S25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.T89 1.T89 C Shift Assignments>> C :: 174.83 CA :: 58.4176(D) CB :: 63.5825(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.23198 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.532 Ave N Shift Values>> N :: 116.28(3.52) 1.G26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.69 L 0.17 R 0.05 C 0.03 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.629(D) CA :: 44.8388(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.26064(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.829(D) Ave N Shift Values>> N :: 109.67(3.87) 1.S27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 172.765(D) CA :: 56.2109(D) CB :: 63.0856(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.04289(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.721(D) Ave N Shift Values>> N :: 116.28(3.52) 1.P28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.75 C 0.24 C Shift Assignments>> C :: 176.994 CA :: 63.2384 CB :: 31.7902 CG :: 27.0949 CD :: 50.5155 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.S29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.346(D) CA :: 58.1076(D) CB :: 63.5088(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.23137 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 :: 115.835 Ave N Shift Values>> N :: 116.28(3.52) 1.A30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.97 C 0.01 C Shift Assignments>> C :: 178.05(D) CA :: 52.488(D) CB :: 18.9448(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.19697(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.131(D) Ave N Shift Values>> N :: 123.23(3.54) 1.G31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.77 L 0.13 C 0.03 R 0.03 C Shift Assignments>> C :: 174.512(D) CA :: 45.0474(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.19774(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.899(D) Ave N Shift Values>> N :: 109.67(3.87) 1.G32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.75 L 0.15 R 0.03 C 0.03 D 0.01 C Shift Assignments>> C :: 173.817(D) CA :: 44.9701(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.05459(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.343(D) Ave N Shift Values>> N :: 109.67(3.87) 1.H33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.21 R 0.2 E 0.16 C 0.16 Q 0.15 K 0.09 HN Overlap>> 1.S39 1.S39 C Shift Assignments>> C :: 175.3 CA :: 55.7806 CB :: 30.5763 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 :: 8.03393 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 :: 118.948 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.S34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.75 CA :: 58.0759 CB :: 63.5508 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.16347 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 :: 117.308 Ave N Shift Values>> N :: 116.28(3.52) 1.K35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 K 0.21 H 0.18 R 0.18 Q 0.1 E 0.06 HN Overlap>> 1.D9 1.D9 C Shift Assignments>> C :: 173.894 CA :: 53.9173 CB :: 32.2618 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 :: 8.24046 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 :: 124.288 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P36 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.69 C 0.3 C Shift Assignments>> C :: 176.312(D) CA :: 62.5639(D) CB :: 31.7782(D) CG :: 27.0468(D) CD :: 50.2611(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.H38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.2 R 0.2 E 0.16 C 0.16 Q 0.15 K 0.09 HN Overlap>> 1.S83 1.S12 1.S83 1.S12 C Shift Assignments>> C :: 174.886(D) CA :: 55.9565(D) CB :: 30.5946(D) Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.1521(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 :: 119.41(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.S39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 HN Overlap>> 1.H33 1.H33 C Shift Assignments>> C :: 172.288(D) CA :: 55.8097(D) CB :: 63.1912(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.07148(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 :: 118.935(D) Ave N Shift Values>> N :: 116.28(3.52) 1.P40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.73 C 0.26 C Shift Assignments>> C :: 176.5 CA :: 63.0171 CB :: 31.8427 CG :: 27.0452 CD :: 50.536 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.L41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.68 C 0.28 A 0.01 R 0.01 HN Overlap>> 1.R16 1.K15 1.V13 1.R16 1.K15 1.V13 C Shift Assignments>> C :: 177.039 CA :: 55.1659 CB :: 41.9115 CG :: 26.8322 CD1 :: 24.4485 CD2 :: 23.5246 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 :: 8.0757 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 :: 121.926 Ave N Shift Values>> N :: 121.86(3.9) 1.V42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.65 C 0.34 HN Overlap>> 1.V48 1.V48 C Shift Assignments>> C :: 175.686 CA :: 62.0853 CB :: 32.3551 CG1 :: 20.8772 CG2 :: 20.5778 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 :: 7.93793 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 :: 122.513 Ave N Shift Values>> N :: 121.14(4.54) 1.L43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.69 C 0.24 A 0.03 R 0.01 G 0.01 C Shift Assignments>> C :: 176.923 CA :: 54.6894 CB :: 42.1155 CG :: 26.7562 CD1 :: 24.6221 CD2 :: 23.2784 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 :: 8.15353 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 :: 126.722 Ave N Shift Values>> N :: 121.86(3.9) 1.K44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.55 C 0.44 HN Overlap>> 1.R70 1.R70 C Shift Assignments>> C :: 176.278 CA :: 55.9735 CB :: 32.7674 CG :: 24.6174 CD :: 28.9664 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 :: 8.15552 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.771 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.5 C 0.37 K 0.05 G 0.05 HN Overlap>> 1.E7 1.E7 C Shift Assignments>> C :: 175.87 CA :: 55.9739 CB :: 30.4786 CG :: 26.9852 CD :: 43.1675 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 :: 8.24467 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.689 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.C46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.18 R 0.17 Q 0.13 K 0.12 I 0.11 E 0.1 H 0.09 L 0.06 C Shift Assignments>> C :: 174.057 CA :: 58.3232 CB :: 27.864 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.22571 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 :: 120.713 Ave N Shift Values>> N :: 120.17(4.64) 1.H47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.2 H 0.19 E 0.17 C 0.16 Q 0.14 K 0.09 V 0.01 HN Overlap>> 1.E14 1.E14 C Shift Assignments>> C :: 175.037 CA :: 56.438 CB :: 30.659 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 :: 8.3132 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 :: 122.829 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.V48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.64 C 0.35 HN Overlap>> 1.V42 1.V42 C Shift Assignments>> C :: 175.779 CA :: 62.0667 CB :: 32.5311 CG1 :: 20.8481 CG2 :: 20.249 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 :: 7.92587 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 :: 122.559 Ave N Shift Values>> N :: 121.14(4.54) 1.S49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.796 CA :: 58.1289 CB :: 63.5512 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.3834 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 :: 119.91 Ave N Shift Values>> N :: 116.28(3.52) 1.T50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 HN Overlap>> 1.S75 1.S75 C Shift Assignments>> C :: 174.255 CA :: 61.8067 CB :: 69.4058 CG2 :: 21.3326 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 :: 8.05634 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 :: 115.857 Ave N Shift Values>> N :: 115.42(4.75) 1.H51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.2 R 0.19 E 0.17 C 0.16 Q 0.15 K 0.08 HN Overlap>> 1.Y55 1.Y55 C Shift Assignments>> C :: 174.974 CA :: 56.232 CB :: 30.4716 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 :: 8.04645 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 :: 121.178 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Q52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.33 K 0.31 C 0.24 R 0.05 E 0.03 C Shift Assignments>> C :: 175.311 CA :: 55.5126 CB :: 29.1777 CG :: 33.4315 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 :: 8.08073 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.408 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.H53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.2 R 0.2 E 0.17 Q 0.16 C 0.15 K 0.08 HN Overlap>> 1.C88 1.C88 C Shift Assignments>> C :: 174.671 CA :: 56.0213 CB :: 30.4592 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 :: 8.21778 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 :: 120.87 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.N54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.64 D 0.13 C 0.1 Y 0.06 L 0.03 C Shift Assignments>> C :: 174.482 CA :: 52.6554 CB :: 38.397 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 :: 8.13715 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 :: 119.911 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Y55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.4 C 0.26 I 0.16 E 0.06 D 0.04 N 0.03 L 0.03 HN Overlap>> 1.H51 1.R86 1.H51 1.R86 C Shift Assignments>> C :: 174.958 CA :: 57.8606 CB :: 38.4554 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 :: 8.00583 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 121.159 Ave N Shift Values>> N :: 120.52(4.2) 1.A56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.98 C 0.01 C Shift Assignments>> C :: 176.165 CA :: 51.488(D) CB :: 19.1854(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.88111 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.219 Ave N Shift Values>> N :: 123.23(3.54) 1.A57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.98 C Shift Assignments>> C :: 174.852 CA :: 50.0872(D) CB :: 17.7166(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.96202(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.049(D) Ave N Shift Values>> N :: 123.23(3.54) 1.P58 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.72 C 0.27 C Shift Assignments>> C :: 176.852 CA :: 62.9297 CB :: 31.8102 CG :: 27.1179 CD :: 50.2097 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.S60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.754 CA :: 58.1317 CB :: 63.5008 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.28716 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 :: 115.725 Ave N Shift Values>> N :: 116.28(3.52) 1.T61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 HN Overlap>> 1.S75 1.S75 C Shift Assignments>> C :: 174.291(D) CA :: 61.6025(D) CB :: 69.5818(D) CG2 :: 21.435(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.02989 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 :: 115.638 Ave N Shift Values>> N :: 115.42(4.75) 1.R62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.49 C 0.37 K 0.06 G 0.05 C Shift Assignments>> C :: 176.047(D) CA :: 56.0038(D) CB :: 30.6159(D) CG :: 26.7899(D) CD :: 43.1827(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.09148(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 123.469(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.K63 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.48 C 0.38 R 0.12 HN Overlap>> 1.R22 1.R22 C Shift Assignments>> C :: 175.57(D) CA :: 55.983(D) CB :: 32.7516(D) CG :: 24.3697(D) CD :: 28.831(D) CE :: 41.8763 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 :: 8.26091(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.162(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D64 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.38 L 0.22 N 0.18 K 0.07 Y 0.06 C 0.06 C Shift Assignments>> C :: 175.038(D) CA :: 53.6251(D) CB :: 40.9472(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.09728(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.566(D) Ave N Shift Values>> N :: 120.65(3.86) 1.Y65 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.25 C 0.24 N 0.22 E 0.11 D 0.08 I 0.04 L 0.03 C Shift Assignments>> C :: 173.782(D) CA :: 55.7492(D) CB :: 37.9495(D) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.88561(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 :: 121.23(D) Ave N Shift Values>> N :: 120.52(4.2) 1.P66 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.73 C 0.26 C Shift Assignments>> C :: 176.532(D) CA :: 63.0351(D) CB :: 31.6964(D) CG :: 27.1656(D) CD :: 50.3421(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.A67 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.97 C 0.01 C Shift Assignments>> C :: 177.617(D) CA :: 52.4335(D) CB :: 18.8859(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.18128(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.096(D) Ave N Shift Values>> N :: 123.23(3.54) 1.A68 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.97 C 0.01 C Shift Assignments>> C :: 177.772(D) CA :: 52.3897(D) CB :: 18.9157(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.09595(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.93(D) Ave N Shift Values>> N :: 123.23(3.54) 1.K69 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.55 C 0.44 C Shift Assignments>> C :: 176.398(D) CA :: 55.9803(D) CB :: 32.776(D) CG :: 24.6475(D) CD :: 28.9364(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.05592(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 :: 120.4(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R70 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.5 C 0.38 K 0.05 G 0.05 HN Overlap>> 1.K44 1.K44 C Shift Assignments>> C :: 176.11(D) CA :: 56.0107(D) CB :: 30.4584(D) CG :: 26.9765(D) CD :: 43.15(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.1387(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.771(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.V71 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.65 C 0.34 HN Overlap>> 1.R80 1.R80 C Shift Assignments>> C :: 175.788(D) CA :: 62.0896(D) CB :: 32.5263(D) CG1 :: 20.8675(D) CG2 :: 20.49(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.04418(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 :: 122.104(D) Ave N Shift Values>> N :: 121.14(4.54) 1.K72 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.49 C 0.39 R 0.11 C Shift Assignments>> C :: 176.267(D) CA :: 56.0492(D) CB :: 32.7515(D) CG :: 24.603 CD :: 29.0234 CE :: 41.9123 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 :: 8.24024(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 :: 125.687(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.67 C 0.26 A 0.03 R 0.01 G 0.01 C Shift Assignments>> C :: 177 CA :: 55.0352 CB :: 42.1775 CG :: 26.7488 CD1 :: 24.6444 CD2 :: 23.1901 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 :: 8.24353 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.723 Ave N Shift Values>> N :: 121.86(3.9) 1.D74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 L 0.23 N 0.14 Y 0.08 K 0.08 C 0.06 HN Overlap>> 1.Q17 1.Q17 C Shift Assignments>> C :: 176.169 CA :: 54.2627 CB :: 40.9008 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 :: 8.23036 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 :: 121.338 Ave N Shift Values>> N :: 120.65(3.86) 1.S75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.T50 1.T61 1.T50 1.T61 C Shift Assignments>> C :: 174.444 CA :: 58.5294 CB :: 63.4909 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.02502 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 :: 115.749 Ave N Shift Values>> N :: 116.28(3.52) 1.V76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.7 C 0.29 C Shift Assignments>> C :: 176.145 CA :: 62.7628 CB :: 32.0977 CG1 :: 20.7285 CG2 :: 20.7322 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 :: 7.90233 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 :: 121.757 Ave N Shift Values>> N :: 121.14(4.54) 1.R77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.49 C 0.38 K 0.05 G 0.04 C Shift Assignments>> C :: 176.206 CA :: 56.2221 CB :: 30.4411 CG :: 27.043 CD :: 43.1451 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 :: 8.11815 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 :: 124.509 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.V78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.68 C 0.31 HN Overlap>> 1.I8 1.I8 C Shift Assignments>> C :: 176.028 CA :: 62.529 CB :: 32.3594 CG1 :: 20.8489 CG2 :: 20.8544 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 :: 8.0078 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 :: 122.246 Ave N Shift Values>> N :: 121.14(4.54) 1.L79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.67 C 0.27 A 0.02 R 0.01 C Shift Assignments>> C :: 177.165 CA :: 55.0833 CB :: 41.9171 CG :: 26.8431 CD1 :: 24.563 CD2 :: 23.2963 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 :: 8.15588 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.984 Ave N Shift Values>> N :: 121.86(3.9) 1.R80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.5 C 0.37 K 0.05 G 0.05 HN Overlap>> 1.V71 1.V71 C Shift Assignments>> C :: 175.949 CA :: 55.961 CB :: 30.4602 CG :: 27.0618 CD :: 43.1618 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 :: 8.1253 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.035 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.Q81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.33 K 0.3 C 0.25 E 0.05 R 0.05 HN Overlap>> 1.D95 1.D95 C Shift Assignments>> C :: 175.883 CA :: 55.8097 CB :: 29.1454 CG :: 33.6005 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 :: 8.22573 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.826 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.68 C 0.31 C Shift Assignments>> C :: 176.312 CA :: 61.1936 CB :: 38.4352 CG1 :: 27.1641 CG2 :: 17.214 CD1 :: 12.7415 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 :: 8.13405 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.594 Ave N Shift Values>> N :: 121.46(4.28) 1.S83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.H38 1.H38 1.S12 1.S12 C Shift Assignments>> C :: 174.245 CA :: 58.1302 CB :: 63.5506 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.22673 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 :: 119.403 Ave N Shift Values>> N :: 116.28(3.52) 1.N84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.6 D 0.14 C 0.11 Y 0.07 L 0.03 E 0.01 C Shift Assignments>> C :: 174.815 CA :: 53.1267 CB :: 38.4405 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 :: 8.34459 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 121.006 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.6 D 0.14 C 0.11 Y 0.07 L 0.03 E 0.01 C Shift Assignments>> C :: 175.057 CA :: 53.1509 CB :: 38.3906 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 :: 8.19737 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 :: 118.905 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.49 C 0.38 K 0.07 G 0.04 HN Overlap>> 1.Y55 1.Y55 1.K21 1.K21 C Shift Assignments>> C :: 176.127 CA :: 56.0941 CB :: 30.8784 CG :: 27.0618 CD :: 43.1384 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 :: 8.0547 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 :: 121.062 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.K87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.54 C 0.44 C Shift Assignments>> C :: 176.343 CA :: 56.1877 CB :: 32.7433 CG :: 24.6621 CD :: 28.8005 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 :: 8.19276 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.415 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.C88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.18 R 0.17 Q 0.13 K 0.12 I 0.11 E 0.1 H 0.09 L 0.06 HN Overlap>> 1.H53 1.H53 C Shift Assignments>> C :: 174.708 CA :: 58.3409 CB :: 27.8522 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.2595 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 :: 120.911 Ave N Shift Values>> N :: 120.17(4.64) 1.T89 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 HN Overlap>> 1.S25 1.S25 C Shift Assignments>> C :: 174.155(D) CA :: 61.6142(D) CB :: 69.5103(D) CG2 :: 21.4531(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.15803 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 :: 116.548 Ave N Shift Values>> N :: 115.42(4.75) 1.S90 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 172.217(D) CA :: 56.2432(D) CB :: 63.08(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.15573(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 :: 119.649(D) Ave N Shift Values>> N :: 116.28(3.52) 1.P91 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.73 C 0.26 C Shift Assignments>> C :: 176.638(D) CA :: 63.0601(D) CB :: 31.8703(D) CG :: 27.1412(D) CD :: 50.7089(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.R92 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.51 C 0.36 K 0.06 G 0.05 C Shift Assignments>> C :: 176.424(D) CA :: 55.7412(D) CB :: 30.6642(D) CG :: 26.8877(D) CD :: 43.1355(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.29945(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 :: 121.225(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.S93 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.491(D) CA :: 58.3294(D) CB :: 63.5518(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.33561(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 :: 117.726(D) Ave N Shift Values>> N :: 116.28(3.52) 1.S94 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.198(D) CA :: 58.2317(D) CB :: 63.5574(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.20111(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 :: 117.014(D) Ave N Shift Values>> N :: 116.28(3.52) 1.D95 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.35 L 0.22 N 0.14 Y 0.1 K 0.07 C 0.07 HN Overlap>> 1.Q81 1.Q81 C Shift Assignments>> C :: 176.164(D) CA :: 54.5327(D) CB :: 40.7694(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.1936(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 :: 121.902(D) Ave N Shift Values>> N :: 120.65(3.86) 1.T96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 173.601 CA :: 61.3915 CB :: 69.7863 CG2 :: 21.3081 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 :: 7.85709 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 :: 112.843 Ave N Shift Values>> N :: 115.42(4.75) 1.E97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.19 R 0.18 E 0.18 H 0.16 Q 0.11 K 0.09 V 0.03 I 0.01 C Shift Assignments>> C :: 180.951 CA :: 57.9193 CB :: 30.7578 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 :: 7.796 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 :: 127.912 Ave N Shift Values>> N :: 120.67(3.48) ########################################################################### Overall Results: #Consistent: 59 #Clerical: 38 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 95 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 2 Shift Relative Order (SRO) Results: #Consistent: 97 #Suspicious: 0 C Shift Results: #Consistent: 255 #Duplicate: 123 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 59 #Duplicate: 28 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 59 #Duplicate: 28 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.Q17 CA = 55.1931(D), Expected = 56.57, Std = 2.1400, ChiSquare = 5.1996e-01 1.Q17 CB = 29.4562(D), Expected = 29.19, Std = 1.8200, ChiSquare = 8.8371e-01 1.Q17 CG = 33.5528(D), Expected = 33.76, Std = 1.1100, ChiSquare = 8.5192e-01 1.A18 CA = 50.3863(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.6430e-01 1.A18 CB = 17.7772(D), Expected = 19.01, Std = 1.8300, ChiSquare = 5.0053e-01 1.A18 H = 8.23966(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.4730e-01 1.A18 N = 127.038(D), Expected = 123.23, Std = 3.5400, ChiSquare = 2.8206e-01 1.P19 CA = 63.1706(D), Expected = 63.33, Std = 1.5200, ChiSquare = 9.1648e-01 1.P19 CB = 31.8416(D), Expected = 31.85, Std = 1.1800, ChiSquare = 9.9432e-01 1.P19 CG = 27.1988(D), Expected = 27.17, Std = 1.0900, ChiSquare = 9.7892e-01 1.P19 CD = 50.3282(D), Expected = 50.32, Std = 0.9900, ChiSquare = 9.9339e-01 1.G20 CA = 44.7806(D), Expected = 45.35, Std = 1.3400, ChiSquare = 6.7089e-01 1.G20 H = 8.30399(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.6808e-01 1.G20 N = 109.018(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.6621e-01 1.K21 CA = 55.9595(D), Expected = 56.95, Std = 2.2000, ChiSquare = 6.5255e-01 1.K21 CB = 32.8547(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.7100e-01 1.K21 H = 8.00692(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.6026e-01 1.K21 N = 120.965(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.8201e-01 1.R22 CA = 55.9382(D), Expected = 56.77, Std = 2.3100, ChiSquare = 7.1878e-01 1.R22 CB = 30.6197(D), Expected = 30.70, Std = 1.8300, ChiSquare = 9.6500e-01 1.R22 H = 8.33509(D), Expected = 8.24, Std = 0.6100, ChiSquare = 8.7612e-01 1.R22 N = 123.17(D), Expected = 120.80, Std = 3.6800, ChiSquare = 5.1956e-01 1.S23 CA = 58.1425(D), Expected = 58.72, Std = 2.0700, ChiSquare = 7.8026e-01 1.S23 CB = 63.5406(D), Expected = 63.80, Std = 1.4800, ChiSquare = 8.6087e-01 1.S23 H = 8.31076(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.5842e-01 1.S23 N = 117.543(D), Expected = 116.28, Std = 3.5200, ChiSquare = 7.1974e-01 1.S25 CA = 58.4176(D), Expected = 58.72, Std = 2.0700, ChiSquare = 8.8385e-01 1.S25 CB = 63.5825(D), Expected = 63.80, Std = 1.4800, ChiSquare = 8.8316e-01 1.G26 C = 173.629(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.9800e-01 1.G26 CA = 44.8388(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.0284e-01 1.G26 H = 8.26064(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.1502e-01 1.G26 N = 110.829(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.6457e-01 1.S27 C = 172.765(D), Expected = 174.62, Std = 1.7200, ChiSquare = 2.8082e-01 1.S27 CA = 56.2109(D), Expected = 58.72, Std = 2.0700, ChiSquare = 2.2546e-01 1.S27 CB = 63.0856(D), Expected = 63.80, Std = 1.4800, ChiSquare = 6.2931e-01 1.S27 H = 8.04289(D), Expected = 8.28, Std = 0.5900, ChiSquare = 6.8777e-01 1.S27 N = 116.721(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.0030e-01 1.S29 C = 174.346(D), Expected = 174.62, Std = 1.7200, ChiSquare = 8.7343e-01 1.S29 CA = 58.1076(D), Expected = 58.72, Std = 2.0700, ChiSquare = 7.6735e-01 1.S29 CB = 63.5088(D), Expected = 63.80, Std = 1.4800, ChiSquare = 8.4402e-01 1.A30 C = 178.05(D), Expected = 177.74, Std = 2.1300, ChiSquare = 8.8428e-01 1.A30 CA = 52.488(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.4193e-01 1.A30 CB = 18.9448(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.7158e-01 1.A30 H = 8.19697(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.9597e-01 1.A30 N = 126.131(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.1251e-01 1.G31 C = 174.512(D), Expected = 173.87, Std = 1.8800, ChiSquare = 7.3273e-01 1.G31 CA = 45.0474(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.2134e-01 1.G31 H = 8.19774(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.3876e-01 1.G31 N = 107.899(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.4722e-01 1.G32 C = 173.817(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.7751e-01 1.G32 CA = 44.9701(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.7679e-01 1.G32 H = 8.05459(D), Expected = 8.33, Std = 0.6500, ChiSquare = 6.7178e-01 1.G32 N = 108.343(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.3168e-01 1.P37 C = 176.312(D), Expected = 176.75, Std = 1.5100, ChiSquare = 7.7177e-01 1.P37 CA = 62.5639(D), Expected = 63.33, Std = 1.5200, ChiSquare = 6.1425e-01 1.P37 CB = 31.7782(D), Expected = 31.85, Std = 1.1800, ChiSquare = 9.5148e-01 1.P37 CG = 27.0468(D), Expected = 27.17, Std = 1.0900, ChiSquare = 9.1001e-01 1.P37 CD = 50.2611(D), Expected = 50.32, Std = 0.9900, ChiSquare = 9.5256e-01 1.H38 C = 174.886(D), Expected = 175.25, Std = 1.9700, ChiSquare = 8.5341e-01 1.H38 CA = 55.9565(D), Expected = 56.52, Std = 2.3100, ChiSquare = 8.0728e-01 1.H38 CB = 30.5946(D), Expected = 30.24, Std = 2.0700, ChiSquare = 8.6398e-01 1.H38 H = 8.1521(D), Expected = 8.24, Std = 0.6800, ChiSquare = 8.9715e-01 1.H38 N = 119.41(D), Expected = 119.69, Std = 4.0000, ChiSquare = 9.4419e-01 1.S39 C = 172.288(D), Expected = 174.62, Std = 1.7200, ChiSquare = 1.7516e-01 1.S39 CA = 55.8097(D), Expected = 58.72, Std = 2.0700, ChiSquare = 1.5974e-01 1.S39 CB = 63.1912(D), Expected = 63.80, Std = 1.4800, ChiSquare = 6.8081e-01 1.S39 H = 8.07148(D), Expected = 8.28, Std = 0.5900, ChiSquare = 7.2377e-01 1.S39 N = 118.935(D), Expected = 116.28, Std = 3.5200, ChiSquare = 4.5069e-01 1.A56 CA = 51.488(D), Expected = 53.14, Std = 1.9800, ChiSquare = 4.0409e-01 1.A56 CB = 19.1854(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.2364e-01 1.A57 CA = 50.0872(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.2312e-01 1.A57 CB = 17.7166(D), Expected = 19.01, Std = 1.8300, ChiSquare = 4.7971e-01 1.A57 H = 7.96202(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.9164e-01 1.A57 N = 125.049(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.0736e-01 1.T61 C = 174.291(D), Expected = 174.54, Std = 1.7600, ChiSquare = 8.8749e-01 1.T61 CA = 61.6025(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.1156e-01 1.T61 CB = 69.5818(D), Expected = 69.73, Std = 1.6300, ChiSquare = 9.2756e-01 1.T61 CG2 = 21.435(D), Expected = 21.55, Std = 1.1100, ChiSquare = 9.1748e-01 1.R62 C = 176.047(D), Expected = 176.41, Std = 2.0300, ChiSquare = 8.5808e-01 1.R62 CA = 56.0038(D), Expected = 56.77, Std = 2.3100, ChiSquare = 7.4012e-01 1.R62 CB = 30.6159(D), Expected = 30.70, Std = 1.8300, ChiSquare = 9.6335e-01 1.R62 CG = 26.7899(D), Expected = 27.21, Std = 1.2000, ChiSquare = 7.2628e-01 1.R62 CD = 43.1827(D), Expected = 43.16, Std = 0.8800, ChiSquare = 9.7942e-01 1.R62 H = 8.09148(D), Expected = 8.24, Std = 0.6100, ChiSquare = 8.0764e-01 1.R62 N = 123.469(D), Expected = 120.80, Std = 3.6800, ChiSquare = 4.6829e-01 1.K63 C = 175.57(D), Expected = 176.64, Std = 2.0000, ChiSquare = 5.9265e-01 1.K63 CA = 55.983(D), Expected = 56.95, Std = 2.2000, ChiSquare = 6.6027e-01 1.K63 CB = 32.7516(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.8279e-01 1.K63 CG = 24.3697(D), Expected = 24.89, Std = 1.1300, ChiSquare = 6.4520e-01 1.K63 CD = 28.831(D), Expected = 28.96, Std = 1.0800, ChiSquare = 9.0492e-01 1.K63 H = 8.26091(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.0592e-01 1.K63 N = 123.162(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.7533e-01 1.D64 C = 175.038(D), Expected = 176.40, Std = 1.7500, ChiSquare = 4.3640e-01 1.D64 CA = 53.6251(D), Expected = 54.69, Std = 2.0300, ChiSquare = 5.9987e-01 1.D64 CB = 40.9472(D), Expected = 40.88, Std = 1.6200, ChiSquare = 9.6691e-01 1.D64 H = 8.09728(D), Expected = 8.31, Std = 0.5800, ChiSquare = 7.1380e-01 1.D64 N = 120.566(D), Expected = 120.65, Std = 3.8600, ChiSquare = 9.8264e-01 1.Y65 C = 173.782(D), Expected = 175.40, Std = 1.9900, ChiSquare = 4.1618e-01 1.Y65 CA = 55.7492(D), Expected = 58.13, Std = 2.5100, ChiSquare = 3.4286e-01 1.Y65 CB = 37.9495(D), Expected = 39.32, Std = 2.1600, ChiSquare = 5.2576e-01 1.Y65 H = 7.88561(D), Expected = 8.32, Std = 0.7300, ChiSquare = 5.5181e-01 1.Y65 N = 121.23(D), Expected = 120.52, Std = 4.2000, ChiSquare = 8.6576e-01 1.P66 C = 176.532(D), Expected = 176.75, Std = 1.5100, ChiSquare = 8.8521e-01 1.P66 CA = 63.0351(D), Expected = 63.33, Std = 1.5200, ChiSquare = 8.4617e-01 1.P66 CB = 31.6964(D), Expected = 31.85, Std = 1.1800, ChiSquare = 8.9643e-01 1.P66 CG = 27.1656(D), Expected = 27.17, Std = 1.0900, ChiSquare = 9.9678e-01 1.P66 CD = 50.3421(D), Expected = 50.32, Std = 0.9900, ChiSquare = 9.8219e-01 1.A67 C = 177.617(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.5395e-01 1.A67 CA = 52.4335(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.2123e-01 1.A67 CB = 18.8859(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.4593e-01 1.A67 H = 8.18128(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.7511e-01 1.A67 N = 124.096(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.0674e-01 1.A68 C = 177.772(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.8801e-01 1.A68 CA = 52.3897(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.0473e-01 1.A68 CB = 18.9157(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.5890e-01 1.A68 H = 8.09595(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.6232e-01 1.A68 N = 122.93(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.3246e-01 1.K69 C = 176.398(D), Expected = 176.64, Std = 2.0000, ChiSquare = 9.0369e-01 1.K69 CA = 55.9803(D), Expected = 56.95, Std = 2.2000, ChiSquare = 6.5938e-01 1.K69 CB = 32.776(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.9372e-01 1.K69 CG = 24.6475(D), Expected = 24.89, Std = 1.1300, ChiSquare = 8.3008e-01 1.K69 CD = 28.9364(D), Expected = 28.96, Std = 1.0800, ChiSquare = 9.8257e-01 1.K69 H = 8.05592(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.2317e-01 1.K69 N = 120.4(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.6311e-01 1.R70 C = 176.11(D), Expected = 176.41, Std = 2.0300, ChiSquare = 8.8251e-01 1.R70 CA = 56.0107(D), Expected = 56.77, Std = 2.3100, ChiSquare = 7.4238e-01 1.R70 CB = 30.4584(D), Expected = 30.70, Std = 1.8300, ChiSquare = 8.9497e-01 1.R70 CG = 26.9765(D), Expected = 27.21, Std = 1.2000, ChiSquare = 8.4572e-01 1.R70 CD = 43.15(D), Expected = 43.16, Std = 0.8800, ChiSquare = 9.9093e-01 1.R70 H = 8.1387(D), Expected = 8.24, Std = 0.6100, ChiSquare = 8.6811e-01 1.R70 N = 122.771(D), Expected = 120.80, Std = 3.6800, ChiSquare = 5.9224e-01 1.V71 C = 175.788(D), Expected = 175.62, Std = 1.9000, ChiSquare = 9.2954e-01 1.V71 CA = 62.0896(D), Expected = 62.49, Std = 2.8600, ChiSquare = 8.8866e-01 1.V71 CB = 32.5263(D), Expected = 32.73, Std = 1.7900, ChiSquare = 9.0940e-01 1.V71 CG1 = 20.8675(D), Expected = 21.49, Std = 1.3600, ChiSquare = 6.4715e-01 1.V71 CG2 = 20.49(D), Expected = 21.26, Std = 1.5600, ChiSquare = 6.2160e-01 1.V71 H = 8.04418(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.1370e-01 1.V71 N = 122.104(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.3185e-01 1.K72 C = 176.267(D), Expected = 176.64, Std = 2.0000, ChiSquare = 8.5205e-01 1.K72 CA = 56.0492(D), Expected = 56.95, Std = 2.2000, ChiSquare = 6.8221e-01 1.K72 CB = 32.7515(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.8274e-01 1.K72 H = 8.24024(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.3327e-01 1.K72 N = 125.687(D), Expected = 121.05, Std = 3.7700, ChiSquare = 2.1871e-01 1.T89 C = 174.155(D), Expected = 174.54, Std = 1.7600, ChiSquare = 8.2684e-01 1.T89 CA = 61.6142(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.1506e-01 1.T89 CB = 69.5103(D), Expected = 69.73, Std = 1.6300, ChiSquare = 8.9278e-01 1.T89 CG2 = 21.4531(D), Expected = 21.55, Std = 1.1100, ChiSquare = 9.3044e-01 1.S90 C = 172.217(D), Expected = 174.62, Std = 1.7200, ChiSquare = 1.6239e-01 1.S90 CA = 56.2432(D), Expected = 58.72, Std = 2.0700, ChiSquare = 2.3149e-01 1.S90 CB = 63.08(D), Expected = 63.80, Std = 1.4800, ChiSquare = 6.2662e-01 1.S90 H = 8.15573(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.3318e-01 1.S90 N = 119.649(D), Expected = 116.28, Std = 3.5200, ChiSquare = 3.3852e-01 1.P91 C = 176.638(D), Expected = 176.75, Std = 1.5100, ChiSquare = 9.4087e-01 1.P91 CA = 63.0601(D), Expected = 63.33, Std = 1.5200, ChiSquare = 8.5906e-01 1.P91 CB = 31.8703(D), Expected = 31.85, Std = 1.1800, ChiSquare = 9.8627e-01 1.P91 CG = 27.1412(D), Expected = 27.17, Std = 1.0900, ChiSquare = 9.7892e-01 1.P91 CD = 50.7089(D), Expected = 50.32, Std = 0.9900, ChiSquare = 6.9445e-01 1.R92 C = 176.424(D), Expected = 176.41, Std = 2.0300, ChiSquare = 9.9450e-01 1.R92 CA = 55.7412(D), Expected = 56.77, Std = 2.3100, ChiSquare = 6.5605e-01 1.R92 CB = 30.6642(D), Expected = 30.70, Std = 1.8300, ChiSquare = 9.8439e-01 1.R92 CG = 26.8877(D), Expected = 27.21, Std = 1.2000, ChiSquare = 7.8825e-01 1.R92 CD = 43.1355(D), Expected = 43.16, Std = 0.8800, ChiSquare = 9.7779e-01 1.R92 H = 8.29945(D), Expected = 8.24, Std = 0.6100, ChiSquare = 9.2236e-01 1.R92 N = 121.225(D), Expected = 120.80, Std = 3.6800, ChiSquare = 9.0806e-01 1.S93 C = 174.491(D), Expected = 174.62, Std = 1.7200, ChiSquare = 9.4021e-01 1.S93 CA = 58.3294(D), Expected = 58.72, Std = 2.0700, ChiSquare = 8.5033e-01 1.S93 CB = 63.5518(D), Expected = 63.80, Std = 1.4800, ChiSquare = 8.6682e-01 1.S93 H = 8.33561(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.2491e-01 1.S93 N = 117.726(D), Expected = 116.28, Std = 3.5200, ChiSquare = 6.8122e-01 1.S94 C = 174.198(D), Expected = 174.62, Std = 1.7200, ChiSquare = 8.0619e-01 1.S94 CA = 58.2317(D), Expected = 58.72, Std = 2.0700, ChiSquare = 8.1352e-01 1.S94 CB = 63.5574(D), Expected = 63.80, Std = 1.4800, ChiSquare = 8.6980e-01 1.S94 H = 8.20111(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.9363e-01 1.S94 N = 117.014(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.3482e-01 1.D95 C = 176.164(D), Expected = 176.40, Std = 1.7500, ChiSquare = 8.9273e-01 1.D95 CA = 54.5327(D), Expected = 54.69, Std = 2.0300, ChiSquare = 9.3824e-01 1.D95 CB = 40.7694(D), Expected = 40.88, Std = 1.6200, ChiSquare = 9.4557e-01 1.D95 H = 8.1936(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.4094e-01 1.D95 N = 121.902(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.4567e-01