Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.74 C 0.25 C Shift Assignments>> C :: 176.31907 CA :: 63.21305 CB :: 32.2103 CG :: 27.36232 CD :: 50.74186 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.43885 HB2 :: 1.78883 HB3 :: 2.25042 HG2 :: 1.98331 HG3 :: 1.99813 HD2 :: 3.72967 HD3 :: 3.85084 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.E4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.46 C 0.4 Q 0.05 K 0.04 I 0.02 C Shift Assignments>> C :: 175.20743 CA :: 56.80879 CB :: 30.55172 CG :: 36.3322 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 :: 8.44411 HA :: 4.1865 HB2 :: 1.89239 HB3 :: 1.95472 HG2 :: 2.07086 HG3 :: 2.24626 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 :: 121.58483 Ave N Shift Values>> N :: 120.67(3.48) 1.F5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.79 C 0.19 C Shift Assignments>> C :: 174.66686 CA :: 55.68396 CB :: 41.81702 CD1 :: 131.88984 CD2 :: 131.88984 CE1 :: 131.12886 CE2 :: 131.12886 CZ :: 130.08186 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 :: 7.69847 HA :: 5.23251 HB2 :: 2.60651 HB3 :: 2.72329 HD1 :: 7.03022 HD2 :: 7.03022 HE1 :: 7.20369 HE2 :: 7.20369 HZ :: 7.13082 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 :: 119.1607 Ave N Shift Values>> N :: 120.45(4.18) 1.H6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 H 0.37 W 0.24 C Shift Assignments>> CA :: 55.5661 CB :: 32.44008 CD2 :: 119.18024 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 :: 8.98901 HD2 :: 6.47709 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 :: 120.68581 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Y7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> Y 0.62 C 0.37 C Shift Assignments>> CA :: 56.64951 CB :: 38.24639 CD1 :: 133.44929 CD2 :: 133.44929 CE1 :: 118.12332 CE2 :: 118.12332 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>> HA :: 5.51179 HB2 :: 2.93792 HB3 :: 3.15313 HD1 :: 7.23718 HD2 :: 7.23718 HE1 :: 6.79186 HE2 :: 6.79186 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) 1.I8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.54 C 0.45 C Shift Assignments>> CA :: 59.37993 CB :: 40.84164 CG1 :: 27.84711 CG2 :: 17.27409 CD1 :: 13.10604 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 :: 7.52331 HA :: 4.46216 HB :: 1.98465 HG12 :: 1.21685 HG13 :: 1.47028 HG21 :: 1.05224 HG22 :: 1.05224 HG23 :: 1.05224 HD11 :: 0.91023 HD12 :: 0.91023 HD13 :: 0.91023 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 123.80463 Ave N Shift Values>> N :: 121.46(4.28) 1.K9 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.21 Y 0.2 C 0.18 F 0.16 D 0.08 E 0.07 L 0.03 I 0.03 C Shift Assignments>> C :: 174.2138 CA :: 55.54954 CB :: 38.09063 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>> HA :: 4.0637 HB2 :: 2.93574 HB3 :: 2.9465 HD21 :: 6.85841 HD22 :: 7.48918 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>> ND2 :: 111.18664 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.H11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.36 C 0.32 H 0.3 C Shift Assignments>> C :: 174.47846 CA :: 56.17904 CB :: 31.66874 CD2 :: 121.26578 CE1 :: 140.14142 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 :: 8.38867 HA :: 4.68276 HB2 :: 2.13067 HB3 :: 2.97008 HD2 :: 7.35853 HE1 :: 8.00057 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 :: 120.37209 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.E12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 E 0.38 Q 0.06 K 0.01 C Shift Assignments>> C :: 174.57475 CA :: 53.82012 CB :: 31.69486 CG :: 36.08414 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 :: 8.45745 HA :: 4.47141 HB2 :: 1.72951 HB3 :: 1.84524 HG2 :: 1.91083 HG3 :: 2.01699 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 :: 124.18596 Ave N Shift Values>> N :: 120.67(3.48) 1.F13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.7 C 0.29 C Shift Assignments>> C :: 175.60321 CA :: 59.99871 CB :: 40.191 CD1 :: 131.24037 CD2 :: 131.24037 CE1 :: 131.83311 CE2 :: 131.83311 CZ :: 128.59063 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 :: 8.59526 HA :: 4.81752 HB2 :: 2.67633 HB3 :: 3.05122 HD1 :: 6.92559 HD2 :: 6.92559 HE1 :: 6.94118 HE2 :: 6.94118 HZ :: 6.28037 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 :: 121.45731 Ave N Shift Values>> N :: 120.45(4.18) 1.I14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.5 C 0.48 C Shift Assignments>> C :: 176.56434 CA :: 58.87133 CB :: 41.39511 CG1 :: 27.34655 CG2 :: 17.41253 CD1 :: 13.61999 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 :: 8.86223 HA :: 4.97946 HB :: 1.91089 HG12 :: 1.33325 HG13 :: 1.58871 HG21 :: 1.04545 HG22 :: 1.04545 HG23 :: 1.04545 HD11 :: 0.86477 HD12 :: 0.86477 HD13 :: 0.86477 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 :: 120.14861 Ave N Shift Values>> N :: 121.46(4.28) 1.A15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.96 C 0.02 C Shift Assignments>> C :: 176.97085 CA :: 53.20306 CB :: 18.55138 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.10183 HA :: 4.31166 HB1 :: 1.29611 HB2 :: 1.29611 HB3 :: 1.29611 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 132.15914 Ave N Shift Values>> N :: 123.23(3.54) 1.T16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.71 C 0.28 HN Overlap>> 1.Q37 1.Q37 C Shift Assignments>> C :: 170.86233 CA :: 61.32736 CB :: 72.13507 CG2 :: 19.73606 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 :: 8.18747 HA :: 4.3387 HB :: 3.38573 HG21 :: 0.39293 HG22 :: 0.39293 HG23 :: 0.39293 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 118.93864 Ave N Shift Values>> N :: 115.42(4.75) 1.F17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.7 C 0.29 C Shift Assignments>> C :: 175.19246 CA :: 56.77268 CB :: 39.96268 CD1 :: 131.98209 CD2 :: 131.98209 CE1 :: 131.55326 CE2 :: 131.55326 CZ :: 129.86743 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 :: 8.22813 HA :: 4.67496 HB2 :: 2.83345 HB3 :: 2.90676 HD1 :: 7.1507 HD2 :: 7.1507 HE1 :: 7.2611 HE2 :: 7.2611 HZ :: 7.25721 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 124.09505 Ave N Shift Values>> N :: 120.45(4.18) 1.F18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.65 C 0.34 C Shift Assignments>> C :: 175.77575 CA :: 58.00944 CB :: 39.37656 CD1 :: 132.42449 CD2 :: 132.42449 CE1 :: 130.57757 CE2 :: 130.57757 CZ :: 129.12085 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 :: 8.54435 HA :: 4.62294 HB2 :: 2.8817 HB3 :: 3.26274 HD1 :: 7.2473 HD2 :: 7.03896 HZ :: 7.1339 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 124.64804 Ave N Shift Values>> N :: 120.45(4.18) 1.G19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 173.68431 CA :: 45.57519 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.71453 HA2 :: 3.84901 HA3 :: 4.14268 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.43748 Ave N Shift Values>> N :: 109.67(3.87) 1.Q20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.32 K 0.31 C 0.28 R 0.05 P 0.01 C Shift Assignments>> C :: 172.58155 CA :: 52.59522 CB :: 29.44514 CG :: 32.91264 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 :: 7.71009 HA :: 4.54988 HB2 :: 1.77561 HB3 :: 1.99178 HG2 :: 2.20052 HG3 :: 2.23679 HE21 :: 6.85853 HE22 :: 7.52265 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.49152 NE2 :: 112.20879 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.P21 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> C :: 176.4237 CA :: 63.6883 CB :: 31.00911 CG :: 26.79454 CD :: 49.9733 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 3.9084 HB2 :: 1.13353 HB3 :: 1.1748 HG2 :: 0.67336(S) HG3 :: 1.48658 HD2 :: 2.82015 HD3 :: 3.18657 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.T22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.69 C 0.3 C Shift Assignments>> C :: 172.10631 CA :: 61.33277 CB :: 71.94377 CG2 :: 19.50009 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 :: 7.69554 HA :: 4.38128 HB :: 3.31902 HG21 :: 0.58415 HG22 :: 0.58415 HG23 :: 0.58415 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 121.29745 Ave N Shift Values>> N :: 115.42(4.75) 1.F23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.45 Y 0.34 C 0.2 C Shift Assignments>> C :: 173.9367 CA :: 58.56627 CB :: 40.11675 CD1 :: 131.41163 CD2 :: 131.41163 CE1 :: 131.35186 CE2 :: 131.35186 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 :: 8.77298 HA :: 3.98295 HB2 :: 2.55632 HB3 :: 2.60613 HD1 :: 6.75338 HD2 :: 6.75338 HE1 :: 7.07102 HE2 :: 7.07102 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 127.08293 Ave N Shift Values>> N :: 120.45(4.18) 1.C24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.17 W 0.16 R 0.15 E 0.15 H 0.13 Q 0.09 K 0.08 V 0.02 I 0.01 C Shift Assignments>> C :: 177.35764 CA :: 58.04048 CB :: 30.78655 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.15641 HA :: 4.33892 HB2 :: 2.12449 HB3 :: 3.34611 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 :: 125.09868 Ave N Shift Values>> N :: 120.17(4.64) 1.S25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.49967 CA :: 61.67405 CB :: 63.90294 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.20821 HA :: 4.19171 HB2 :: 3.9252 HB3 :: 4.12163 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 :: 124.43344 Ave N Shift Values>> N :: 116.28(3.52) 1.V26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.87 C 0.12 C Shift Assignments>> C :: 176.72193 CA :: 65.13856 CB :: 33.18447 CG1 :: 21.15271 CG2 :: 22.40533 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 :: 8.95379 HA :: 4.04515 HB :: 2.09588 HG11 :: 0.95106 HG12 :: 0.95106 HG13 :: 0.95106 HG21 :: 0.95212 HG22 :: 0.95212 HG23 :: 0.95212 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 :: 123.24347 Ave N Shift Values>> N :: 121.14(4.54) 1.C27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 W 0.16 R 0.13 E 0.12 H 0.1 K 0.09 V 0.07 Q 0.06 I 0.01 C Shift Assignments>> C :: 175.76833 CA :: 59.16109 CB :: 31.15602 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.10486 HA :: 4.78852 HB2 :: 2.89736 HB3 :: 3.26471 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 :: 118.01161 Ave N Shift Values>> N :: 120.17(4.64) 1.K28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 L 0.24 R 0.13 K 0.13 G 0.01 C Shift Assignments>> C :: 174.70301 CA :: 57.66807 CB :: 28.68118 CG :: 25.03165 CE :: 42.29046 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 :: 7.81267 HA :: 3.78099 HB2 :: 1.91991 HB3 :: 2.15216 HG2 :: 1.20119 HG3 :: 1.28083 HD2 :: 1.56085 HD3 :: 1.57773 HE2 :: 2.93089 HE3 :: 2.96002 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 :: 116.42604 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 E 0.41 Q 0.03 C Shift Assignments>> C :: 176.78284 CA :: 54.92285 CB :: 31.88889 CG :: 36.32708 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 :: 7.94965 HA :: 4.66403 HB2 :: 2.13657 HB3 :: 2.28731 HG2 :: 2.30014 HG3 :: 2.4158 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 :: 118.05908 Ave N Shift Values>> N :: 120.67(3.48) 1.F30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.43 Y 0.32 C 0.23 C Shift Assignments>> C :: 176.99825 CA :: 58.81302 CB :: 39.71876 CD1 :: 130.77594 CD2 :: 130.77594 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 :: 8.85525 HA :: 4.40922 HB2 :: 2.5355 HB3 :: 2.80629 HD1 :: 6.82444 HD2 :: 6.82444 HE1 :: 7.05384 HE2 :: 7.05384 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 :: 119.27043 Ave N Shift Values>> N :: 120.45(4.18) 1.V31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.58 V 0.29 I 0.11 C Shift Assignments>> C :: 174.29653 CA :: 61.4976 CB :: 31.15414 CG1 :: 19.25426 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>> HA :: 4.07445 HB :: 1.54815 HG11 :: 0.04389 HG12 :: 0.04389 HG13 :: 0.04389 HG21 :: 0.59555 HG22 :: 0.59555 HG23 :: 0.59555 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) 1.W32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.53 C 0.46 C Shift Assignments>> C :: 175.18883 CA :: 56.38495 CB :: 31.06318 CD1 :: 126.66497 CE3 :: 120.96517 CZ2 :: 114.69099 CZ3 :: 122.26294 CH2 :: 124.73892 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 :: 8.11626 HA :: 4.83533 HB2 :: 3.14078 HB3 :: 3.23294 HD1 :: 7.19845 HE1 :: 10.04723 HE3 :: 7.63025 HZ2 :: 7.46652 HZ3 :: 6.95928 HH2 :: 7.13792 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 :: 123.81949 NE1 :: 129.61661 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.G33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 174.27708 CA :: 45.31095 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.83523 HA2 :: 3.52983 HA3 :: 3.97477 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.09961 Ave N Shift Values>> N :: 109.67(3.87) 1.L34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.35 R 0.02 C Shift Assignments>> C :: 177.3294 CA :: 56.42553 CB :: 41.94237 CG :: 27.04202 CD1 :: 23.46677 CD2 :: 24.69442 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 :: 8.39462 HA :: 4.09644 HB2 :: 1.55151 HB3 :: 1.59328 HG :: 1.60817 HD11 :: 0.82259 HD12 :: 0.82259 HD13 :: 0.82259 HD21 :: 0.88251 HD22 :: 0.88251 HD23 :: 0.88251 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 :: 122.98532 Ave N Shift Values>> N :: 121.86(3.9) 1.N35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.55 D 0.17 C 0.08 F 0.06 Y 0.06 L 0.04 C Shift Assignments>> C :: 174.61025 CA :: 52.86859 CB :: 38.81969 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 :: 8.2862 HA :: 4.78083 HB2 :: 2.78415 HB3 :: 2.82708 HD21 :: 6.90281 HD22 :: 7.61385 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.00762 ND2 :: 112.87053 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.49 C 0.4 R 0.09 C Shift Assignments>> C :: 175.07167 CA :: 56.12452 CB :: 32.36985 CG :: 25.0007 CD :: 29.26115 CE :: 41.84126 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 :: 7.85189 HA :: 4.25509 HB2 :: 1.67154 HB3 :: 1.92716 HG2 :: 1.0499 HG3 :: 1.25613 HD2 :: 1.48573 HD3 :: 1.5459 HE2 :: 2.57381 HE3 :: 2.58173 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 :: 119.04943 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.35 C 0.27 K 0.23 E 0.12 R 0.01 HN Overlap>> 1.T16 1.T16 C Shift Assignments>> C :: 176.39709 CA :: 55.70821 CB :: 29.99036 CG :: 34.114 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 :: 8.0959 HA :: 4.30615 HB2 :: 1.793 HB3 :: 1.80647 HG2 :: 1.95722 HG3 :: 1.96231 HE21 :: 6.84795 HE22 :: 7.10672 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.00073 NE2 :: 112.29621 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 L 0.1 C 0.03 R 0.01 F 0.01 C Shift Assignments>> C :: 171.62641 CA :: 45.21064 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.21876 HA2 :: 3.99796 HA3 :: 4.22597 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.41862 Ave N Shift Values>> N :: 109.67(3.87) 1.Y39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.68 C 0.21 G 0.09 C Shift Assignments>> C :: 174.20664 CA :: 56.16414 CB :: 43.01385 CD1 :: 132.31324 CD2 :: 132.31324 CE1 :: 118.29953 CE2 :: 118.29953 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 :: 8.90982 HA :: 5.48604 HB2 :: 2.33662 HB3 :: 2.72904 HD1 :: 6.63021 HD2 :: 6.63021 HE1 :: 6.68796 HE2 :: 6.68796 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 :: 119.0903 Ave N Shift Values>> N :: 120.52(4.2) 1.K40 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.63 K 0.17 R 0.16 G 0.01 C Shift Assignments>> C :: 176.31129 CA :: 54.45351 CB :: 37.34823 CG :: 24.91139 CD :: 29.83609 CE :: 41.80872 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 :: 8.90612 HA :: 5.88215(S) HB2 :: 1.72593 HB3 :: 1.93002 HG2 :: 1.32298 HG3 :: 1.3754 HD2 :: 1.69418 HD3 :: 1.77176 HE2 :: 2.96306 HE3 :: 2.99767 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 :: 119.75722 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.C41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.16 E 0.15 C 0.15 R 0.13 H 0.13 Q 0.11 K 0.09 I 0.02 V 0.01 C Shift Assignments>> C :: 177.18629 CA :: 58.15327 CB :: 30.02148 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.46455 HA :: 4.62027 HB2 :: 2.18116 HB3 :: 3.19547 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 :: 130.72446 Ave N Shift Values>> N :: 120.17(4.64) 1.R42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 R 0.44 G 0.06 K 0.04 C Shift Assignments>> C :: 176.25946 CA :: 58.50304 CB :: 30.91689 CG :: 26.84132 CD :: 43.36006 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 :: 8.96328 HA :: 4.31453 HB2 :: 1.87391 HB3 :: 1.90561 HG2 :: 1.76876 HG3 :: 1.90045 HD2 :: 3.16748 HD3 :: 3.17687 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 :: 129.44945 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.Q43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 Q 0.32 K 0.25 E 0.02 R 0.01 C Shift Assignments>> C :: 176.21947 CA :: 56.92442 CB :: 30.36776 CG :: 32.94139 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.00731 HA :: 4.47288 HB2 :: 1.89455 HB3 :: 2.0326 HG2 :: 2.18295 HG3 :: 2.39676 HE21 :: 6.75666 HE22 :: 7.63211 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 :: 118.2403 NE2 :: 112.10537 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.C44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 K 0.2 Q 0.15 V 0.09 R 0.08 W 0.07 H 0.07 E 0.04 C Shift Assignments>> C :: 176.0928 CA :: 58.43616 CB :: 33.09997 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.14021 HA :: 4.92775 HB2 :: 2.77117 HB3 :: 3.37594 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 :: 117.16463 Ave N Shift Values>> N :: 120.17(4.64) 1.N45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.21 C 0.2 Y 0.19 F 0.15 E 0.09 D 0.06 I 0.03 L 0.02 C Shift Assignments>> C :: 173.90573 CA :: 55.5591 CB :: 37.88117 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 :: 7.91362 HA :: 4.59403 HB2 :: 3.11501 HB3 :: 3.15052 HD21 :: 6.8733 HD22 :: 7.49249 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.87435 ND2 :: 113.01175 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.91 C 0.04 L 0.01 I 0.01 C Shift Assignments>> C :: 175.80234 CA :: 54.36282 CB :: 19.27153 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.64152 HA :: 4.24081 HB1 :: 1.42869 HB2 :: 1.42869 HB3 :: 1.42869 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.33004 Ave N Shift Values>> N :: 123.23(3.54) 1.A47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.41 L 0.37 C 0.17 K 0.02 C Shift Assignments>> C :: 177.01148 CA :: 50.23631 CB :: 22.89944 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.53758 HA :: 5.58227 HB1 :: 1.23212 HB2 :: 1.23212 HB3 :: 1.23212 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.95206 Ave N Shift Values>> N :: 123.23(3.54) 1.I48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 G 0.27 I 0.09 A 0.02 C Shift Assignments>> C :: 175.9498 CA :: 58.64216 CB :: 43.92902 CG1 :: 26.80958 CG2 :: 18.82066 CD1 :: 13.90235 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 :: 8.92451 HA :: 5.82662 HB :: 1.65257 HG12 :: 0.63171 HG13 :: 1.26591 HG21 :: 0.58935 HG22 :: 0.58935 HG23 :: 0.58935 HD11 :: 0.00839 HD12 :: 0.00839 HD13 :: 0.00839 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 :: 114.47028 Ave N Shift Values>> N :: 121.46(4.28) 1.H49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 W 0.32 H 0.28 C Shift Assignments>> C :: 177.88851 CA :: 58.81949 CB :: 31.80312 CD2 :: 119.12366 CE1 :: 139.03448 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 :: 8.13613 HA :: 4.61074 HB2 :: 3.64939 HB3 :: 3.68516 HD2 :: 7.56542 HE1 :: 7.28831 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 :: 119.78949 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.K50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 K 0.43 R 0.05 C Shift Assignments>> C :: 179.79884 CA :: 60.36439 CB :: 31.97994 CG :: 25.10292 CD :: 29.5286 CE :: 41.83253 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 :: 8.82864 HA :: 3.92004 HB2 :: 1.73563 HB3 :: 1.83211 HG2 :: 1.02969 HG3 :: 1.27319 HD2 :: 1.53705 HD3 :: 1.54916 HE2 :: 2.77913 HE3 :: 2.79951 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 :: 123.88613 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.43 R 0.12 C Shift Assignments>> C :: 177.08797 CA :: 57.75423 CB :: 31.53406 CG :: 25.3723 CD :: 29.28987 CE :: 41.82735 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 :: 8.4026 HA :: 4.26067 HB2 :: 1.88112 HB3 :: 1.88639 HG2 :: 1.38276 HG3 :: 1.58791 HD2 :: 1.55626 HD3 :: 1.5813 HE2 :: 2.488 HE3 :: 2.66465 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 :: 113.58787 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.C52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 I 0.17 V 0.16 W 0.13 P 0.09 E 0.04 R 0.04 H 0.03 K 0.02 Q 0.02 C Shift Assignments>> C :: 175.8496 CA :: 61.77678 CB :: 30.12802 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.33218 HA :: 4.19604 HB2 :: 2.81112 HB3 :: 3.04318 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 :: 118.80635 Ave N Shift Values>> N :: 120.17(4.64) 1.I53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.82 C 0.17 C Shift Assignments>> C :: 174.71711 CA :: 64.24247 CB :: 38.51375 CG1 :: 29.28762 CG2 :: 16.74851 CD1 :: 13.06542 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 6.9278 HA :: 3.44427 HB :: 1.44395 HG12 :: 0.73554 HG13 :: 0.91144 HG21 :: 0.74558 HG22 :: 0.74558 HG23 :: 0.74558 HD11 :: -0.09562 HD12 :: -0.09562 HD13 :: -0.09562 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 :: 119.65087 Ave N Shift Values>> N :: 121.46(4.28) 1.D54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.18 N 0.13 F 0.13 Y 0.1 C 0.07 K 0.05 C Shift Assignments>> C :: 176.81586 CA :: 54.80879 CB :: 40.55994 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 :: 7.67432 HA :: 4.55301 HB2 :: 2.61879 HB3 :: 2.63768 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 :: 116.65195 Ave N Shift Values>> N :: 120.65(3.86) 1.K55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.55 C 0.34 R 0.09 C Shift Assignments>> C :: 175.48209 CA :: 54.98419 CB :: 33.61745 CG :: 24.97527 CD :: 29.10762 CE :: 41.9772 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 :: 7.51713 HA :: 4.4132 HB2 :: 1.65703 HB3 :: 2.04811 HG2 :: 1.29423 HG3 :: 1.40024 HD2 :: 1.6321 HD3 :: 1.6491 HE2 :: 2.96141 HE3 :: 2.9687 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 :: 118.08017 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I56 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 :: 175.25415 CA :: 61.88867 CB :: 38.12379 CG1 :: 28.5201 CG2 :: 17.45404 CD1 :: 13.96698 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 :: 7.00757 HA :: 3.88154 HB :: 1.73792 HG12 :: 1.22337 HG13 :: 1.5682 HG21 :: 0.96597 HG22 :: 0.96597 HG23 :: 0.96597 HD11 :: 0.75969 HD12 :: 0.75969 HD13 :: 0.75969 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 :: 119.51941 Ave N Shift Values>> N :: 121.46(4.28) 1.I57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 C 0.31 C Shift Assignments>> C :: 176.64977 CA :: 61.1607 CB :: 40.17472 CG1 :: 27.0486 CG2 :: 17.46828 CD1 :: 13.03928 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 :: 8.50023 HA :: 4.27604 HB :: 1.86371 HG12 :: 1.20774 HG13 :: 1.56996 HG21 :: 0.92242 HG22 :: 0.92242 HG23 :: 0.92242 HD11 :: 0.87954 HD12 :: 0.87954 HD13 :: 0.87954 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 126.17436 Ave N Shift Values>> N :: 121.46(4.28) 1.G58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.12 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 173.04417 CA :: 45.09248 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.40578 HA2 :: 3.95818 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.64137 Ave N Shift Values>> N :: 109.67(3.87) 1.R59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.49 C 0.32 K 0.11 G 0.06 C Shift Assignments>> C :: 176.28585 CA :: 54.90243 CB :: 31.82993 CG :: 27.39629 CD :: 43.2239 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 :: 8.21353 HA :: 4.69841 HB2 :: 1.60536 HB3 :: 1.62058 HG2 :: 1.47569 HG3 :: 1.514 HD2 :: 3.0736 HD3 :: 3.08412 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 :: 121.13744 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.C60 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.36 C 0.24 W 0.1 V 0.08 P 0.07 E 0.03 K 0.02 R 0.02 H 0.02 Q 0.01 C Shift Assignments>> C :: 176.75408 CA :: 62.28892 CB :: 29.23632 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.50585 HA :: 3.46366 HB2 :: 1.17781(S) HB3 :: 2.18234 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 :: 124.09838 Ave N Shift Values>> N :: 120.17(4.64) 1.T61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 175.75991 CA :: 62.13001 CB :: 69.25931 CG2 :: 21.75791 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 :: 8.46575 HA :: 4.29975 HB :: 4.48214 HG21 :: 1.26593 HG22 :: 1.26593 HG23 :: 1.26593 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 :: 119.89341 Ave N Shift Values>> N :: 115.42(4.75) 1.G62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 L 0.14 C 0.03 R 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 173.13595 CA :: 45.00059 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.95185 HA2 :: 3.80641 HA3 :: 3.81331 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.5941 Ave N Shift Values>> N :: 109.67(3.87) 1.T63 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 :: 173.87061 CA :: 61.5091 CB :: 70.02834 CG2 :: 21.39745 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 :: 7.91427 HA :: 4.35367 HB :: 4.20942 HG21 :: 1.17634 HG22 :: 1.17634 HG23 :: 1.17634 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 :: 113.27468 Ave N Shift Values>> N :: 115.42(4.75) 1.A64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.96 C 0.02 C Shift Assignments>> C :: 177.90241 CA :: 52.58366 CB :: 19.32598 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.34988 HA :: 4.39642 HB1 :: 1.39329 HB2 :: 1.39329 HB3 :: 1.39329 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.98836 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 0.88 C 0.11 C Shift Assignments>> C :: 173.65326 CA :: 61.61549 CB :: 70.00271 CG2 :: 21.75659 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 :: 8.20366 HA :: 4.33239 HB :: 4.28618 HG21 :: 1.1833 HG22 :: 1.1833 HG23 :: 1.1833 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 :: 113.8238 Ave N Shift Values>> N :: 115.42(4.75) 1.N66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.17 N 0.14 F 0.13 Y 0.11 C 0.07 K 0.04 C Shift Assignments>> CA :: 54.88736 CB :: 40.4325 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 :: 8.06322 HD21 :: 6.7983 HD22 :: 7.48466 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 :: 126.39583 ND2 :: 112.66242 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S67 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R68 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> D 0.3 L 0.23 K 0.12 F 0.09 N 0.08 Y 0.07 C 0.05 R 0.01 C Shift Assignments>> CA :: 54.49107 CB :: 41.2482 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>> HB2 :: 2.63608 HD2 :: 4.65139 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) 1.T70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 61.597 CB :: 70.1306 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 :: 7.99789 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 :: 113.98008 Ave N Shift Values>> N :: 115.42(4.75) 1.V71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.43 C 0.24 P 0.19 W 0.03 K 0.03 R 0.01 Q 0.01 H 0.01 C Shift Assignments>> CA :: 61.97685 CB :: 32.97002 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 :: 8.1704 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 :: 121.74522 Ave N Shift Values>> N :: 121.14(4.54) 1.D72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 K 0.2 R 0.14 D 0.14 F 0.09 Y 0.06 C 0.05 N 0.01 C Shift Assignments>> CA :: 55.9069 CB :: 42.29259 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 :: 7.94756 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 :: 129.14912 Ave N Shift Values>> N :: 120.65(3.86) 1.S73 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S74 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G75 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R76 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.I77 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.3092 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 123.5274 Ave N Shift Values>> N :: 121.46(4.28) 1.V78 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.33929 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 125.87412 Ave N Shift Values>> N :: 121.14(4.54) 1.T79 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> C 0.95 T 0.03 C Shift Assignments>> CA :: 60.99191 CB :: 69.96478 CG2 :: 17.06894(S) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) 1.D80 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 7.92752 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 128.17587 Ave N Shift Values>> N :: 120.65(3.86) 2.ZN1 Overall Status: Residue type ZN not supported. ########################################################################### Overall Results: #Consistent: 76 #Clerical: 0 #Suspicious: 4 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 68 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 12 Shift Relative Order (SRO) Results: #Consistent: 80 #Suspicious: 0 C Shift Results: #Consistent: 294 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 436 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 0 N Shift Results: #Consistent: 72 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.P21 HG2 = 0.67336(S), Expected = 1.93, Std = 0.3100, ChiSquare = 5.0419e-05 1.K40 HA = 5.88215(S), Expected = 4.27, Std = 0.4400, ChiSquare = 2.4833e-04 1.C60 HB2 = 1.17781(S), Expected = 2.96, Std = 0.4400, ChiSquare = 5.1123e-05 1.T79 CG2 = 17.06894(S), Expected = 21.55, Std = 1.1100, ChiSquare = 5.4141e-05